Vitas-M small molecule compound
3-{[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
Catalog ID
STK245039
SMILES OC(=O)CCSc1nc2c([nH]1)cc(cc2)C(=O)c1ccccc1
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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 C17H14N2O3S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O3S/c20-15(21)8-9-23-17-18-13-7-6-12(10-14(13)19-17)16(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H,20,21)InChIKey
YUCMABKIOLAAHP-UHFFFAOYSA-NSynonyms
3((6(phenylcarbonyl)1Hbenzimidazol2yl)sulfanyl)propanoicacid
3((6benzoyl1Hbenzimidazol2yl)sulfanyl)propanoicacid
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)SCCC(=O)O
InChI=1SC17H14N2O3Sc2015(21)89231718137612(1014(13)1917)16(22)114213511h1710H89H2(H1819)(H2021)
MFCD08683631
OC(=O)CCSc1nc2c((nH)1)cc(cc2)C(=O)c1ccccc1
ZINC000007343701
ZINC7343701
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