Vitas-M small molecule compound

ethyl (5Z)-5-{3-chloro-4-[(2,4-dichlorobenzyl)oxy]benzylidene}-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL380516
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2Cl)Cl)/C1=O)NC(=O)c1ccccc1

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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 C28H20Cl3NO5S MW 588.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20Cl3NO5S/c1-2-36-28(35)24-25(33)23(38-27(24)32-26(34)17-6-4-3-5-7-17)13-16-8-11-22(21(31)12-16)37-15-18-9-10-19(29)14-20(18)30/h3-14H,2,15H2,1H3,(H,32,34)/b23-13-
InChIKey
ORDVUMGWGPOALP-QRVIBDJDSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)Cl)C1=O)NC(=O)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2Cl)Cl)C1=O)NC(=O)c1ccccc1
ETHYL(5Z)2BENZAMIDO5((3CHLORO4((24DICHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro4((24dichlorobenzyl)oxy)benzylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
ETHYL2(BENZOYLAMINO)5(3CHLORO4((24DICHLOROBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H20Cl3NO5Sc123628(35)2425(33)23(3827(24)3226(34)176435717)131681122(21(31)1216)37151891019(29)1420(18)30h314H215H21H3(H3234)b2313
MFCD03783999
ZINC000008396264
ZINC08396264
ZINC8396264

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.