Vitas-M small molecule compound
ethyl (5Z)-2-[(3-chlorophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL438720
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc(c(c2)OC)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 C21H18ClNO5S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S/c1-3-28-21(26)18-19(25)17(10-12-7-8-15(24)16(9-12)27-2)29-20(18)23-14-6-4-5-13(22)11-14/h4-11,23-24H,3H2,1-2H3/b17-10-InChIKey
MWOANJYOOFZTQI-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2ccc(c(c2)OC)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)OC)C1=O)NC3=CC(=CC=C3)Cl
ethyl(5Z)2((3chlorophenyl)amino)5(4hydroxy3methoxybenzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2(3CHLOROANILINO)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H18ClNO5Sc132821(26)1819(25)17(10127815(24)16(912)272)2920(18)231464513(22)1114h4112324H3H212H3b1710
MFCD02109784
ZINC000006489641
ZINC06489641
ZINC6489641
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