Vitas-M small molecule compound
ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-(2-hydroxy-3-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158461
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2cccc(c2O)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 C21H18ClNO5S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S/c1-3-28-21(26)17-19(25)16(11-12-5-4-6-15(27-2)18(12)24)29-20(17)23-14-9-7-13(22)8-10-14/h4-11,23-24H,3H2,1-2H3/b16-11-InChIKey
GWLAQKOVDJNGSV-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cccc(c2O)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=CC=C2)OC)O)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5Z)2((4CHLOROPHENYL)AMINO)5(2HYDROXY3METHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4CHLOROANILINO)5((2HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H18ClNO5Sc132821(26)1719(25)16(111254615(272)18(12)24)2920(17)23149713(22)81014h4112324H3H212H3b1611
MFCD08679711
ZINC000100795450
ZINC100795450
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