Vitas-M small molecule compound

ethyl (5Z)-2-[(4-methoxyphenyl)amino]-5-(4-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK003913
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(cc2)[N+](=O)[O-])/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(12-13-4-8-15(9-5-13)23(26)27)30-20(18)22-14-6-10-16(28-2)11-7-14/h4-12,22H,3H2,1-2H3/b17-12-
InChIKey
GMFJYRHQWCZTBK-ATVHPVEESA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(cc2)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)(N+)(=O)(O))C1=O)NC3=CC=C(C=C3)OC
ETHYL(5Z)2((4METHOXYPHENYL)AMINO)5(4NITROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4METHOXYANILINO)5((4NITROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H18N2O6Sc132921(25)1819(24)17(12134815(9513)23(26)27)3020(18)221461016(282)11714h41222H3H212H3b1712
MFCD02800665
STK003913
ZINC000008916646
ZINC08916646
ZINC8916646

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Available files

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