Vitas-M small molecule compound

ethyl (5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL419469
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)OC)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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-4-28-22(25)19-20(24)18(29-21(19)23-15-8-6-5-7-9-15)13-14-10-11-16(26-2)17(12-14)27-3/h5-13,23H,4H2,1-3H3/b18-13-
InChIKey
XXIKEJMNZYEHHP-AQTBWJFISA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OC)OC)C1=O)NC3=CC=CC=C3
ethyl(5Z)2anilino5((34dimethoxyphenyl)methylidene)4oxothiophene3carboxylate
ethyl(5Z)5(34dimethoxybenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC22H21NO5Sc142822(25)1920(24)18(2921(19)23158657915)1314101116(262)17(1214)273h51323H4H213H3b1813
MFCD02927832
ZINC000027531889
ZINC27531889

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Available files

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