Vitas-M small molecule compound
ethyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK403239
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc(c1C)C(=O)NC1CCCC1
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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 C21H22ClN3O6S MW 479.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-11(2)17(19(27)23-13-6-4-5-7-13)32-20(16)24-18(26)12-8-9-14(22)15(10-12)25(29)30/h8-10,13H,3-7H2,1-2H3,(H,23,27)(H,24,26)InChIKey
DJKGEJLHULCSOV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)sc(c1C)C(=O)NC1CCCC1
ethyl2(((4chloro3nitrophenyl)carbonyl)amino)5(cyclopentylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((4CHLORO3NITROBENZOYL)AMINO)5(CYCLOPENTYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H22ClN3O6Sc133121(28)1611(2)17(19(27)2313645713)3220(16)2418(26)128914(22)15(1012)25(29)30h81013H37H212H3(H2327)(H2426)
MFCD03312471
ZINC000002762183
ZINC02762183
ZINC2762183
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