Vitas-M small molecule compound

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

Catalog ID
STL380512
SMILES CCOc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/1\SC(=C(C1=O)C(=O)OCC)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 C30H25Cl2NO6S MW 598.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2NO6S/c1-3-37-24-14-18(10-13-23(24)39-17-20-11-12-21(31)16-22(20)32)15-25-27(34)26(30(36)38-4-2)29(40-25)33-28(35)19-8-6-5-7-9-19/h5-16H,3-4,17H2,1-2H3,(H,33,35)/b25-15-
InChIKey
JCZAXKVXGGTYLE-MYYYXRDXSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)OCC4=C(C=C(C=C4)Cl)Cl
CCOc1cc(ccc1OCc1ccc(cc1Cl)Cl)C=C1SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccccc1
ETHYL(5Z)2BENZAMIDO5((4((24DICHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((24dichlorobenzyl)oxy)3ethoxybenzylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
ETHYL2(BENZOYLAMINO)5(4((24DICHLOROBENZYL)OXY)3ETHOXYBENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC30H25Cl2NO6Sc1337241418(101323(24)391720111221(31)1622(20)32)152527(34)26(30(36)3842)29(4025)3328(35)198657919h516H3417H212H3(H3335)b2515
MFCD03783990
ZINC000008396254
ZINC08396254
ZINC8396254

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Available files

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