Vitas-M small molecule compound
4-[({[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)methyl]benzoic acid
Catalog ID
STK359453
SMILES O=C(NCc1ccc(cc1)C(=O)O)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
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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 C17H14N4O5S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5S/c22-15(18-8-10-1-3-11(4-2-10)16(23)24)9-27-17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)InChIKey
PSAUYFCOZFYJPC-UHFFFAOYSA-NSynonyms
664977-36-04(((((5nitro1Hbenzimidazol2yl)sulfanyl)acetyl)amino)methyl)benzoicacid
4(((2((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)METHYL)BENZOICACID
664977360
C1=CC(=CC=C1CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O))C(=O)O
InChI=1SC17H14N4O5Sc2215(188101311(4210)16(23)24)9271719136512(21(25)26)714(13)2017h17H89H2(H1822)(H1920)(H2324)
MFCD01438139
O=C(NCc1ccc(cc1)C(=O)O)CSc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
ZINC000002742294
ZINC2742294
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