Vitas-M small molecule compound
ethyl (5Z)-2-[(3-chlorophenyl)amino]-5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158523
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)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 C22H20ClNO5S MW 445.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5S/c1-4-29-22(26)19-20(25)18(11-13-8-9-16(27-2)17(10-13)28-3)30-21(19)24-15-7-5-6-14(23)12-15/h5-12,24H,4H2,1-3H3/b18-11-InChIKey
DQZKQDRXNXAEHD-WQRHYEAKSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)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)Cl
ETHYL(5Z)2((3CHLOROPHENYL)AMINO)5(34DIMETHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(3CHLOROANILINO)5((34DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20ClNO5Sc142922(26)1920(25)18(11138916(272)17(1013)283)3021(19)241575614(23)1215h51224H4H213H3b1811
MFCD02109783
ZINC000008435595
ZINC08435595
ZINC8435595
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