Heterocyclic Building Blocks

Thiamine hydrochloride, 98.5-101.5%, Acros Organics

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride, vitamin b1 hydrochloride, thiamine hcl, aneurine hydrochloride, berin, thiamine chloride hydrochloride, trophite, thiamin chloride, thiamine dichloride, thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Fluorescein, ACROS Organics™

CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

5-(Hydroxymethyl)furfural, 98%, ACROS Organics™

CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural, 5-hydroxymethyl-2-furaldehyde, 5-hydroxymethyl furfural, 5-hydroxymethyl furan-2-carbaldehyde, hydroxymethylfurfural, 5-hydroxymethyl-2-furfural, 5-oxymethylfurfurole, 5-hydroxymethylfuraldehyde, hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO

(4S)-(-)-4-Isopropyl-2-oxazolidinone, 98%, ACROS Organics™

CAS: 17016-83-0 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00010847 InChI Key: YBUPWRYTXGAWJX-RXMQYKEDSA-N Synonym: s-4-isopropyl-2-oxazolidinone, s---4-isopropyl-2-oxazolidinone, 4s---4-isopropyl-2-oxazolidinone, s-4-isopropyloxazolidin-2-one, 4s-4-isopropyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 4-1-methylethyl-, 4s, 4s-4-propan-2-yl-1,3-oxazolidin-2-one, 4s---isopropyl-2-oxazolidinone, 4 s-1-methylethyl-2-oxazolidinone, 4s---4-isopropyl-2-oxazolidinon PubChem CID: 7157133 IUPAC Name: (4S)-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CC(C)C1COC(=O)N1

HEPES, 99%, for biochemistry, ACROS Organics™

CAS: 7365-45-9 Molecular Formula: C8H18N2O4S Molecular Weight (g/mol): 238.302 MDL Number: MFCD00006158 InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N Synonym: 2-[4-(2-Hydroxyethyl)-1-piperazine]ethanesulfonic acid PubChem CID: 23831 ChEBI: CHEBI:42334 IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O

Alfa Aesar™ 4-Amino-6-chloropyrimidine-5-carboxaldehyde, 97%

CAS: 14160-93-1 Molecular Formula: C5H4ClN3O Molecular Weight (g/mol): 157.557 MDL Number: MFCD03789626 InChI Key: GOJNFUXEBVBARW-UHFFFAOYSA-N Synonym: 4-amino-6-chloropyrimidine-5-carboxaldehyde, 5-pyrimidinecarboxaldehyde, 4-amino-6-chloro, 4-amino-6-chloro-5-pyrimidinecarbaldehyde, 4-amino-6-chloro-pyrimidine-5-carbaldehyde, 4-amino-6-chloro-5-pyrimidinecarboxaldehyde, 4-amino-6-chloro-5-formylpyrimidine, 4-amino-6-chloro-5-formyl-1,3-diazine, pubchem22541, 6-amino-4-chloropyrimidine-5-carbaldehyde, 4-amino-6-chloro-pyrimidine-5-carboxaldehyde PubChem CID: 84230 IUPAC Name: 4-amino-6-chloropyrimidine-5-carbaldehyde SMILES: C1=NC(=C(C(=N1)Cl)C=O)N

Alfa Aesar™ 3,3-Difluoroazetidine hydrochloride, 95%

CAS: 288315-03-7 Molecular Formula: C3H6ClF2N Molecular Weight (g/mol): 129.535 MDL Number: MFCD05663714 InChI Key: CDBAEFXTCRKJPZ-UHFFFAOYSA-N Synonym: 3,3-difluoroazetidine hydrochloride, 3,3-difluoroazetidine hcl, azetidine, 3,3-difluoro-, hydrochloride, azetidine, 3,3-difluoro-, hydrochloride 1:1, 3,3-difluoroazetidine hydrochloride 1:1, 3,3-difluoroazetidinehydrochloride, acmc-1clfn, 3,3-difluoroazetidine-hcl, difluoroazetidine hydrochloride, 3,3-difluoroazetidin hydrochloride PubChem CID: 2758247 IUPAC Name: 3,3-difluoroazetidine;hydrochloride SMILES: C1C(CN1)(F)F.Cl

Alfa Aesar™ 6-Bromo-2(3H)-benzoxazolone, 97%

CAS: 19932-85-5 Molecular Formula: C7H4BrNO2 Molecular Weight (g/mol): 214.018 MDL Number: MFCD00694727 InChI Key: DDNKJFBQMQOIKI-UHFFFAOYSA-N Synonym: 6-bromobenzo d oxazol-2 3h-one, 6-bromo-2-benzoxazolinone, 6-bromo-1,3-benzoxazol-2 3h-one, 2-benzoxazolinone, 6-bromo, 6-bromobenzoxazolinone, 2 3h-benzoxazolone, 6-bromo, 6-bromo-2 3h-benzoxazolone, cincreasin, 6-bromo-2,3-dihydro-1,3-benzoxazol-2-one, 6-bromobenzoxazol-2 3h-one PubChem CID: 29859 ChEBI: CHEBI:77861 IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1Br)OC(=O)N2

Alfa Aesar™ 3-Amino-2-bromo-5-fluoropyridine, 97%

CAS: 884495-03-8 Molecular Formula: C5H4BrFN2 Molecular Weight (g/mol): 191.003 MDL Number: MFCD05662413 InChI Key: QUZAKZBKMMUARE-UHFFFAOYSA-N Synonym: 3-amino-2-bromo-5-fluoropyridine, 2-bromo-5-fluoro-3-pyridylamine, 2-bromo-3-amino-5-fluoropyridine, 2-bromo-5-fluoro-3-aminopyridine, 3-pyridinamine, 2-bromo-5-fluoro, abbypharma ap-31-3805, 2-bromo-5-fluoro-3-pyridinamine, 2-bromo-5-fluoro-pyridin-3-ylamine, pubchem1145, acmc-209qtb PubChem CID: 40427367 IUPAC Name: 2-bromo-5-fluoropyridin-3-amine SMILES: C1=C(C(=NC=C1F)Br)N

Alfa Aesar™ 8-Chloro-2-methylquinoline, 98%

CAS: 3033-82-7 Molecular Formula: C10H8ClN Molecular Weight (g/mol): 177.631 MDL Number: MFCD00051764 InChI Key: VVLYDFPOGMTMFJ-UHFFFAOYSA-N Synonym: 8-chloroquinaldine, quinaldine, 8-chloro, quinoline, 8-chloro-2-methyl, 8-chloro-2-methyl-quinoline, 2-methyl-8-chloroquinoline, pubchem5852, acmc-1aehk, maybridge1_006766, 8-chloranyl-2-methyl-quinoline, 8-chloro-2-methylquinoline PubChem CID: 221113 IUPAC Name: 8-chloro-2-methylquinoline SMILES: CC1=NC2=C(C=CC=C2Cl)C=C1

Alfa Aesar™ Ethyl 5-amino-1,2,3-thiadiazole-4-carboxylate, 98+%

CAS: 6440-02-4 Molecular Formula: C5H7N3O2S Molecular Weight (g/mol): 173.19 MDL Number: MFCD00778317 InChI Key: ZUGOHJWUTNKRMG-UHFFFAOYSA-N Synonym: ethyl 5-amino-1,2,3-thiadiazole-4-carboxylate, 5-amino-1,2,3-thiadiazole-4-carboxylic acid ethyl ester, 1,2,3-thiadiazole-4-carboxylic acid, 5-amino-, ethyl ester, 5-amino-1,2,3 thiadiazole-4-carboxylic acid ethyl ester, acmc-20am6n, tos-bb-0200, zugohjwutnkrmg-uhfffaoysa, 5-amino-4-carbethoxy-1,2,3-thiadiazole, 5-amino-4-ethoxycarbonyl-1,2,3-thiadiazole, 1,2,3-thiadiazole-4-carboxylicacid,5-amino-,ethylester PubChem CID: 1831000 IUPAC Name: ethyl 5-aminothiadiazole-4-carboxylate SMILES: CCOC(=O)C1=C(SN=N1)N

2-[4-(Dimethylamino)phenyl]benzimidazole, 95%, Alfa Aesar™

CAS: 2562-71-2 Molecular Formula: C15H15N3 Molecular Weight (g/mol): 237.306 MDL Number: MFCD00441571 InChI Key: ZKBBGUJBGLTNEK-UHFFFAOYSA-N Synonym: 2-p-n,n-dimethylaminophenyl-1h-benzoimidazole, 4-1h-benzimidazol-2-yl-n,n-dimethylaniline, 4-1h-benzoimidazol-2-yl-phenyl-dimethyl-amine, n-4-1h-benzimidazol-2-yl phenyl-n,n-dimethylamine, 4-benzimidazol-2-ylphenyl dimethylamine, 4-1h-1,3-benzodiazol-2-yl-n,n-dimethylaniline, cambridge id 5628722, 2-p-dimethylamino phenyl benzimidazole, 4-2-benzimidazolyl-n,n-dimethylaniline, 2-4-dimethylaminophenyl-1h-benzimidazole PubChem CID: 242786 IUPAC Name: 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2

8-Hydroxyquinaldine, 98%, Acros Organics

CAS: 826-81-3 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00006765 InChI Key: NBYLBWHHTUWMER-UHFFFAOYSA-N Synonym: 8-hydroxyquinaldine, 2-methyl-8-hydroxyquinoline, 2-methyl-8-quinolinol, 8-quinolinol, 2-methyl, 2-methyloxine, 8-hydroxy-2-methylquinoline, hydroxyquinaldine, 8-hydroxyqinaldine, 2-methyl-quinolin-8-ol, 2-methyl 8-quinolonol PubChem CID: 13224 IUPAC Name: 2-methylquinolin-8-ol SMILES: CC1=NC2=C(C=CC=C2O)C=C1

Alfa Aesar™ 2-Hydrazinoquinoline, 97%

CAS: 15793-77-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD00041860 InChI Key: QMVCLSHKMIGEFN-UHFFFAOYSA-N Synonym: 2-hydrazinoquinoline, 2-hydrazinylquinoline, 2-quinolylhydrazine, 2 1h-quinolinone, hydrazone, quinoline, 2-hydrazino, 2-hydrazinequinoline, quinoline, 2-hydrazinyl, quinoline,2-hydrazinyl, .alpha.-quinolylhydrazine, alpha-quinolylhydrazine PubChem CID: 85111 IUPAC Name: quinolin-2-ylhydrazine SMILES: C1=CC=C2C(=C1)C=CC(=N2)NN

2,3-Dihydrobenzo[b]furan-5-carboxaldehyde, 97%, Alfa Aesar™

CAS: 55745-70-5 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00068058 InChI Key: WEBVDBDZSOJGPB-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-5-carboxaldehyde, 2,3-dihydrobenzo b furan-5-carbaldehyde, 2,3-dihydrobenzofuran-5-carbaldehyde, 2,3-dihydrobenzo b furan-5-carboxaldehyde, 2,3-dihyro-1-benzofuran-5-carbaldehyde, 2,3-dihydro-benzofuran-5-carbaldehyde, 5-coumarancarboxaldehyde, 2,3-dihydro-5-benzofurancarboxaldehyde, 5-benzofurancarboxaldehyde, 2,3-dihydro, 2,3-dihydro-5-benzofurancarbaldehyde PubChem CID: 735901 IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde SMILES: C1COC2=C1C=C(C=C2)C=O

1,4-Dioxa-8-azaspiro[4.5]decane, 98%, ACROS Organics™

CAS: 177-11-7 Molecular Formula: C7H13NO2 Molecular Weight (g/mol): 143.19 MDL Number: MFCD00005976 InChI Key: KPKNTUUIEVXMOH-UHFFFAOYSA-N Synonym: 1,4-dioxa-8-azaspiro 4.5 decane, 4-piperidone ethylene ketal, 4-piperidinone ethyl ketal, 4-piperidone-ethylene ketal, 4-piperidone ethylene acetal, 1,4-dioxa-8-azaspiro 4,5 decane, 4-piperidoneethyleneketal, piperidone-4-ethyleneketal, 1,4-dioxa-8-aza-spiro 4.5 decane PubChem CID: 67435 IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decane SMILES: C1CNCCC12OCCO2

Alfa Aesar™ Folinic acid calcium salt hydrate, 98%

CAS: 1492-18-8 Molecular Formula: C20H22CaN7O7+ Molecular Weight (g/mol): 512.516 MDL Number: MFCD00149463 InChI Key: KVUAALJSMIVURS-ZEDZUCNESA-M Synonym: calcium folinate PubChem CID: 131675590 IUPAC Name: calcium;(4S)-4-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate SMILES: C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.[Ca+2]

2-Phenylbenzimidazole-5-sulfonic acid, 98%, ACROS Organics™

CAS: 27503-81-7 Molecular Formula: C13H10N2O3S Molecular Weight (g/mol): 274.28 MDL Number: MFCD00053007 InChI Key: UVCJGUGAGLDPAA-UHFFFAOYSA-N Synonym: ensulizole, 2-phenylbenzimidazole-5-sulfonic acid, phenylbenzimidazole sulfonic acid, 2-phenyl-1h-benzo d imidazole-5-sulfonic acid, 2-phenyl-1h-benzo d imidazole-6-sulfonic acid, 1h-benzimidazole-5-sulfonic acid, 2-phenyl, unii-9yq9di1w42, 2-phenyl-1h-benzimidazole-5-sulfonic acid, parsol hs, 2-phenyl-5-benzimidazolesulfonic acid PubChem CID: 33919 IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

Alfa Aesar™ 1-(2-Aminoethyl)piperidine, 98%

CAS: 27578-60-5 Molecular Formula: C7H16N2 Molecular Weight (g/mol): 128.219 MDL Number: MFCD00006516 InChI Key: CJNRGSHEMCMUOE-UHFFFAOYSA-N Synonym: n-2-aminoethyl piperidine, 1-2-aminoethyl piperidine, 2-piperidin-1-yl ethanamine, 2-piperidin-1-yl ethan-1-amine, 1-piperidineethanamine, 2-piperidinoethylamine, 2-1-piperidinyl ethanamine, 2-1-piperidinyl ethylamine, n-aminoethylpiperidine, 2-piperidino-1-ethanamine PubChem CID: 33944 IUPAC Name: 2-piperidin-1-ylethanamine SMILES: C1CCN(CC1)CCN

Alfa Aesar™ 5-Bromo-2-fluoropyridine, 98%

CAS: 766-11-0 Molecular Formula: C5H3BrFN Molecular Weight (g/mol): 175.988 MDL Number: MFCD01863742 InChI Key: MYUQKYGWKHTRPG-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromopyridine, 3-bromo-6-fluoropyridine, 5-bromo-2-fluoro pyridine, 5-bromo-2-fluoro-pyridine, pyridine, 5-bromo-2-fluoro, 2-fluoro-5-bromo pyridine, pubchem3550, 2-fluro-5-bromo-pyridine, acmc-209p4s, bromo-2-fluoropyridine, 5 PubChem CID: 2783168 IUPAC Name: 5-bromo-2-fluoropyridine SMILES: C1=CC(=NC=C1Br)F

Alfa Aesar™ 1-(n-Butyl)imidazole, 99%

CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.187 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole, 1h-imidazole, 1-butyl, n-butylimidazole, 1-n-butylimidazole, n-n-butyl imidazole, 1-n-butyl imidazole, 1-buthylimidazole, n-n-butylimidazole, imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butylimidazole SMILES: CCCCN1C=CN=C1

Alfa Aesar™ Thiophene-3-carbonitrile, 98%

CAS: 1641-09-4 Molecular Formula: C5H3NS Molecular Weight (g/mol): 109.146 MDL Number: MFCD00151852 InChI Key: GSXCEVHRIVLFJV-UHFFFAOYSA-N Synonym: 3-cyanothiophene, 3-thiophenecarbonitrile, thiophene-3-nitrile, pubchem5508, pubchem12351, acmc-209dqk, ksc176g4h PubChem CID: 74231 IUPAC Name: thiophene-3-carbonitrile SMILES: C1=CSC=C1C#N

2,5-Dichloropyridine, 98%, ACROS Organics™

CAS: 16110-09-1 Molecular Formula: C5H3Cl2N Molecular Weight (g/mol): 147.99 MDL Number: MFCD00006239 InChI Key: GCTFDMFLLBCLPF-UHFFFAOYSA-N Synonym: pyridine, 2,5-dichloro, 2,5-dichloro-pyridine, 2,5-dichloro pyridine, ccris 1718, 2,5-dichlorpyridin, 2,5-dichloropyridin, 2,5-dichioropyridine, 2.5-dichloropyridine, pubchem1199, 2,5 dichloropyridine PubChem CID: 27685 IUPAC Name: 2,5-dichloropyridine SMILES: C1=CC(=NC=C1Cl)Cl

Alfa Aesar™ 2-(4-Methoxyphenyl)thiazole-4-carboxylic acid, 97%

CAS: 57677-80-2 Molecular Formula: C11H9NO3S Molecular Weight (g/mol): 235.257 MDL Number: MFCD03791177 InChI Key: OIBLFOXWCGIRIQ-UHFFFAOYSA-N Synonym: 2-4-methoxyphenyl thiazole-4-carboxylic acid, 2-4-methoxyphenyl-1,3-thiazole-4-carboxylic acid, 2-4-methoxy-phenyl-thiazole-4-carboxylic acid, 2-4-methoxyphenyl-4-thiazolecarboxylic acid, acmc-209lzq, 2-4-methoxyphenyl thiazole-4-carboxylicacid, 4-thiazolecarboxylicacid, 2-4-methoxyphenyl, 4-thiazolecarboxylic acid, 2-4-methoxyphenyl PubChem CID: 2763565 IUPAC Name: 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O

Alfa Aesar™ 2-Bromopyridine, 99%

CAS: 109-04-6 Molecular Formula: C5H4BrN Molecular Weight (g/mol): 157.998 MDL Number: MFCD00006219 InChI Key: IMRWILPUOVGIMU-UHFFFAOYSA-N Synonym: o-bromopyridine, pyridine, 2-bromo, 2-bromo-pyridine, 2-pyridyl bromide, alpha-bromopyridine, beta-bromopyridine, bromopyridine, 2-bromopyridin, 2-bromo pyridine, unii-7z7mlc4vd8 PubChem CID: 7973 ChEBI: CHEBI:51574 IUPAC Name: 2-bromopyridine SMILES: C1=CC=NC(=C1)Br

6,7-Dihydrobenzo[b]thiophen-4-one, 98%, Alfa Aesar™

CAS: 13414-95-4 Molecular Formula: C8H8OS Molecular Weight (g/mol): 152.211 MDL Number: MFCD00005861 InChI Key: GJEKNELSXNSYAQ-UHFFFAOYSA-N Synonym: 6,7-dihydro-4-benzo b thiophenone, 6,7-dihydro-5h-benzo b thiophen-4-one, 6,7-dihydrobenzo b thiophen-4 5h-one, 4-keto-4,5,6,7-tetrahydrothianaphthene, 6,7-dihydrobenzo b thiophen-4-one, benzo b thiophen-4 5h-one, 6,7-dihydro, 6,7-dihydro-1-benzothiophen-4 5h-one, 4,5,6,7-tetrahydrothionaphthen-4-one, 4-oxo-4,5,6,7-tetrahydrothianaphthene, 4,5,6,7-tetrahydro-4-benzothiophenone PubChem CID: 83418 IUPAC Name: 6,7-dihydro-5H-1-benzothiophen-4-one SMILES: C1CC2=C(C=CS2)C(=O)C1

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