Vitas-M small molecule compound
ethyl (5Z)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-{[(2-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380541
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)Cl)/C1=O)NC(=O)c1ccccc1C
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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 C30H26ClNO6S MW 564.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClNO6S/c1-4-37-30(35)26-27(33)25(39-29(26)32-28(34)22-8-6-5-7-18(22)2)16-20-11-14-23(24(15-20)36-3)38-17-19-9-12-21(31)13-10-19/h5-16H,4,17H2,1-3H3,(H,32,34)/b25-16-InChIKey
XTDKCVHGUCUWSG-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)C1=O)NC(=O)C4=CC=CC=C4C
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)Cl)C1=O)NC(=O)c1ccccc1C
ETHYL(5Z)5((4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)2((2METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((4chlorobenzyl)oxy)3methoxybenzylidene)2(((2methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4((4CHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)2((2METHYLBENZOYL)AMINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC30H26ClNO6Sc143730(35)2627(33)25(3929(26)3228(34)22865718(22)2)1620111423(24(1520)363)38171991221(31)131019h516H417H213H3(H3234)b2516
MFCD03783993
ZINC000008396258
ZINC08396258
ZINC8396258
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.