Vitas-M small molecule compound
ethyl 5-methyl-4-(4-methylphenyl)-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK428523
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc(c1c1ccc(cc1)C)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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-4-29-22(26)19-18(15-7-5-13(2)6-8-15)14(3)30-21(19)23-20(25)16-9-11-17(12-10-16)24(27)28/h5-12H,4H2,1-3H3,(H,23,25)InChIKey
OHIXFSUTCUYXCJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc(c1c1ccc(cc1)C)C
ETHYL2((4NITROBENZOYL)AMINO)5METHYL4(4METHYLPHENYL)3THIOPHENECARBOXYLATE
ethyl5methyl4(4methylphenyl)2(((4nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5METHYL4(4METHYLPHENYL)2((4NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5METHYL4(4METHYLPHENYL)2((4NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H20N2O5Sc142922(26)1918(157513(2)6815)14(3)3021(19)2320(25)1691117(121016)24(27)28h512H4H213H3(H2325)
MFCD02612220
ZINC000002110708
ZINC02110708
ZINC2110708
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