Vitas-M small molecule compound
ethyl (5Z)-5-(4-methylbenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK001434
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(cc2)C)/C1=O
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-3-28-21(25)18-19(24)17(12-14-6-4-13(2)5-7-14)29-20(18)22-15-8-10-16(11-9-15)23(26)27/h4-12,22H,3H2,1-2H3/b17-12-InChIKey
BNFYZGKZDFTAQM-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(cc2)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)C)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((4METHYLPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4METHYLBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18N2O5Sc132821(25)1819(24)17(12146413(2)5714)2920(18)221581016(11915)23(26)27h41222H3H212H3b1712
MFCD03033907
STK001434
ZINC000004547917
ZINC04547917
ZINC4547917
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