Vitas-M small molecule compound
ethyl 5-carbamoyl-4-methyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK438196
SMILES CCOC(=O)c1c(NC(=O)/C=C/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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c1-3-27-18(24)14-10(2)15(16(19)23)28-17(14)20-13(22)9-6-11-4-7-12(8-5-11)21(25)26/h4-9H,3H2,1-2H3,(H2,19,23)(H,20,22)/b9-6+InChIKey
OSUVLLAOAWTRED-RMKNXTFCSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)(N+)(=O)(O))sc(c1C)C(=O)N
ETHYL2((2E)3(4NITROPHENYL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
ethyl5carbamoyl4methyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC18H17N3O6Sc132718(24)1410(2)15(16(19)23)2817(14)2013(22)96114712(8511)21(25)26h49H3H212H3(H21923)(H2022)b96+
MFCD01344288
ZINC000002737622
ZINC02737622
ZINC2737622
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