Vitas-M small molecule compound
ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-(2,5-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK072180
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2cc(OC)ccc2OC)/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(12-13-11-16(27-2)9-10-17(13)28-3)30-21(19)24-15-7-5-14(23)6-8-15/h5-12,24H,4H2,1-3H3/b18-12-InChIKey
IOJASGTWNFTCIB-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cc(OC)ccc2OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C=CC(=C2)OC)OC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5Z)2((4CHLOROPHENYL)AMINO)5(25DIMETHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4CHLOROANILINO)5((25DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20ClNO5Sc142922(26)1920(25)18(12131116(272)91017(13)283)3021(19)24157514(23)6815h51224H4H213H3b1812
MFCD08679709
STK072180
ZINC000009659350
ZINC09659350
ZINC9659350
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