Vitas-M small molecule compound
ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK403253
SMILES CCOC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c1-3-30-21(27)16-12(2)17(19(26)22-14-8-4-5-9-14)31-20(16)23-18(25)13-7-6-10-15(11-13)24(28)29/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,22,26)(H,23,25)InChIKey
BKEMQDFHNZQKDF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCC2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc(c1C)C(=O)NC1CCCC1
ethyl5(cyclopentylcarbamoyl)4methyl2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5(CYCLOPENTYLCARBAMOYL)4METHYL2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H23N3O6Sc133021(27)1612(2)17(19(26)2214845914)3120(16)2318(25)13761015(1113)24(28)29h67101114H3589H212H3(H2226)(H2325)
MFCD03312487
ZINC000002758822
ZINC02758822
ZINC2758822
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