Vitas-M small molecule compound
ethyl 2-({[2-(azepan-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK762830
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCCCCC2)[N+](=O)[O-])sc(c1C)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 C22H27N3O5S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5S/c1-4-30-22(27)19-14(2)15(3)31-21(19)23-20(26)17-13-16(25(28)29)9-10-18(17)24-11-7-5-6-8-12-24/h9-10,13H,4-8,11-12H2,1-3H3,(H,23,26)InChIKey
XGPZZOMTNWMZPP-UHFFFAOYSA-NSynonyms
2(2AZEPAN1YL5NITROBENZOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))N3CCCCCC3
CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCCCCC2)(N+)(=O)(O))sc(c1C)C
ethyl2(((2(azepan1yl)5nitrophenyl)carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2(AZEPAN1YL)5NITROBENZOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2(2(azepan1yl)5nitrobenzamido)45dimethylthiophene3carboxylate
InChI=1SC22H27N3O5Sc143022(27)1914(2)15(3)3121(19)2320(26)171316(25(28)29)91018(17)241175681224h91013H481112H213H3(H2326)
MFCD01958533
ZINC000006089496
ZINC06089496
ZINC6089496
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