Vitas-M small molecule compound
ethyl (5Z)-5-(3-methoxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK037017
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cccc(c2)OC)/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 C21H18N2O6S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S/c1-3-29-21(25)18-19(24)17(12-13-5-4-6-16(11-13)28-2)30-20(18)22-14-7-9-15(10-8-14)23(26)27/h4-12,22H,3H2,1-2H3/b17-12-InChIKey
PCLYKEBINJJHCM-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cccc(c2)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((3METHOXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3METHOXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18N2O6Sc132921(25)1819(24)17(121354616(1113)282)3020(18)22147915(10814)23(26)27h41222H3H212H3b1712
MFCD02927830
STK037017
ZINC000009246672
ZINC09246672
ZINC9246672
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