Vitas-M small molecule compound
ethyl 4-({[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK242193
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2c([nH]1)cc(cc2)[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 C18H16N4O5S MW 400.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5S/c1-2-27-17(24)11-3-5-12(6-4-11)19-16(23)10-28-18-20-14-8-7-13(22(25)26)9-15(14)21-18/h3-9H,2,10H2,1H3,(H,19,23)(H,20,21)InChIKey
BWNHMLGNQUJXLX-UHFFFAOYSA-NSynonyms
865547-16-6865547166
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2c((nH)1)cc(cc2)(N+)(=O)(O)
ETHYL4((((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4((2((6nitro1Hbenzimidazol2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4(2(5NITROBENZIMIDAZOL2YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC18H16N4O5Sc122717(24)113512(6411)1916(23)10281820148713(22(25)26)915(14)2118h39H210H21H3(H1923)(H2021)
MFCD08671044
ZINC000009191613
ZINC09191613
ZINC9191613
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