Vitas-M small molecule compound
ethyl 6-methyl-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK440928
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCC(C2)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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-4-27-20(24)17-14-7-5-11(2)9-16(14)28-19(17)21-18(23)13-6-8-15(22(25)26)12(3)10-13/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,21,23)InChIKey
BANLJESPLPQYPH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCC(C2)C
ethyl6methyl2(((3methyl4nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((3methyl4nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H22N2O5Sc142720(24)17147511(2)916(14)2819(17)2118(23)136815(22(25)26)12(3)1013h681011H4579H213H3(H2123)
MFCD01244276
ZINC000000687061
ZINC000000687062
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