Vitas-M small molecule compound
ethyl (5Z)-2-[(3,4-dichlorophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK057710
SMILES CCOC(=O)C1=C(Nc2ccc(c(c2)Cl)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 C21H17Cl2NO5S MW 466.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2NO5S/c1-3-29-21(27)18-19(26)17(9-11-4-7-15(25)16(8-11)28-2)30-20(18)24-12-5-6-13(22)14(23)10-12/h4-10,24-25H,3H2,1-2H3/b17-9-InChIKey
ASFKHMJYMVWCCU-MFOYZWKCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(c(c2)Cl)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(=C(C=C3)Cl)Cl
ETHYL(5Z)2((34DICHLOROPHENYL)AMINO)5(4HYDROXY3METHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(34DICHLOROANILINO)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H17Cl2NO5Sc132921(27)1819(26)17(9114715(25)16(811)282)3020(18)24125613(22)14(23)1012h4102425H3H212H3b179
MFCD08051397
STK057710
ZINC000013896042
ZINC13896042
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