Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
Catalog ID
STK316658
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c1c1ccc(cc1)Cl)C
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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 C21H16ClN3O7S MW 489.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O7S/c1-3-32-21(27)18-17(12-4-6-13(22)7-5-12)11(2)33-20(18)23-19(26)15-9-8-14(24(28)29)10-16(15)25(30)31/h4-10H,3H2,1-2H3,(H,23,26)InChIKey
POEYDQCSJZKWMB-UHFFFAOYSA-NSynonyms
445005-04-9445005049
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc(c1c1ccc(cc1)Cl)C
ETHYL2((24BISNITROBENZOYL)AMINO)4(4CHLOROPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
ethyl4(4chlorophenyl)2(((24dinitrophenyl)carbonyl)amino)5methylthiophene3carboxylate
ETHYL4(4CHLOROPHENYL)2((24DINITROBENZOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H16ClN3O7Sc133221(27)1817(124613(22)7512)11(2)3320(18)2319(26)159814(24(28)29)1016(15)25(30)31h410H3H212H3(H2326)
MFCD02607203
ZINC000002102080
ZINC02102080
ZINC2102080
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