Vitas-M small molecule compound
ethyl 5-carbamoyl-4-methyl-2-({[4-(4-nitrophenyl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK458868
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])sc(c1C)C(=O)N
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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 C21H25N5O6S MW 475.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O6S/c1-3-32-21(29)17-13(2)18(19(22)28)33-20(17)23-16(27)12-24-8-10-25(11-9-24)14-4-6-15(7-5-14)26(30)31/h4-7H,3,8-12H2,1-2H3,(H2,22,28)(H,23,27)InChIKey
QIGVVDLULIXDEY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2ccc(cc2)(N+)(=O)(O))sc(c1C)C(=O)N
ethyl5carbamoyl4methyl2(((4(4nitrophenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ethyl5carbamoyl4methyl2((2(4(4nitrophenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2(2(4(4NITROPHENYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H25N5O6Sc133221(29)1713(2)18(19(22)28)3320(17)2316(27)122481025(11924)144615(7514)26(30)31h47H3812H212H3(H22228)(H2327)
MFCD05070646
ZINC000016515584
ZINC16515584
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