Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-5-(2,3-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158431
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2cccc(c2OC)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)18-19(25)17(12-13-6-5-7-16(27-2)20(13)28-3)30-21(18)24-15-10-8-14(23)9-11-15/h5-12,24H,4H2,1-3H3/b17-12+InChIKey
ZLLBRPUXRPXDRH-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cccc(c2OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=CC=C2)OC)OC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(23DIMETHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4CHLOROANILINO)5((23DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20ClNO5Sc142922(26)1819(25)17(121365716(272)20(13)283)3021(18)241510814(23)91115h51224H4H213H3b1712+
MFCD08679400
ZINC000002895502
ZINC02895502
ZINC2895502
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