Vitas-M small molecule compound
3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid
Catalog ID
STL354729
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nc2c([nH]1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c20-14(17-11-5-3-4-10(8-11)15(21)22)9-23-16-18-12-6-1-2-7-13(12)19-16/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)InChIKey
XFQXWICQPYLELC-UHFFFAOYSA-NSynonyms
302601-85-03(((1Hbenzimidazol2ylsulfanyl)acetyl)amino)benzoicacid
3(((1HBENZIMIDAZOL3IUM2YLSULFANYL)ACETYL)AMINO)BENZOATE
3((2(1HBENZIMIDAZOL2YLSULFANYL)ACETYL)AMINO)BENZOICACID
3((2(1HBENZIMIDAZOL3IUM2YLSULFANYL)ACETYL)AMINO)BENZOATE
3(2(1HBENZOIMIDAZOL2YLSULFANYL)ACETYLAMINO)BENZOICACID
3(2BENZIMIDAZOL2YLTHIOACETYLAMINO)BENZOICACID
302601850
C1=CC=C2C(=C1)NC(=(NH+)2)SCC(=O)NC3=CC=CC(=C3)C(=O)(O)
InChI=1SC16H13N3O3Sc2014(171153410(811)15(21)22)923161812612713(12)1916h18H9H2(H1720)(H1819)(H2122)
MFCD00627570
O=C(Nc1cccc(c1)C(=O)O)CSc1nc2c((nH)1)cccc2
ZINC000002765569
ZINC2765569
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