Vitas-M small molecule compound

ethyl (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(2,4-dichlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK003157
SMILES CCOC(=O)C1=C(S/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/C1=O)Nc1ccc(cc1Cl)Cl

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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 C28H31Cl2NO4S MW 548.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31Cl2NO4S/c1-8-35-26(34)22-24(33)21(36-25(22)31-20-10-9-16(29)14-19(20)30)13-15-11-17(27(2,3)4)23(32)18(12-15)28(5,6)7/h9-14,31-32H,8H2,1-7H3/b21-13-
InChIKey
RBGJGRQOPILXJS-BKUYFWCQSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C1=O)NC3=C(C=C(C=C3)Cl)Cl
CCOC(=O)C1=C(SC(=Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C1=O)Nc1ccc(cc1Cl)Cl
ETHYL(5Z)5((35DITERTBUTYL4HYDROXYPHENYL)METHYLIDENE)2(24DICHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(35DITERTBUTYL4HYDROXYBENZYLIDENE)2((24DICHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC28H31Cl2NO4Sc183526(34)2224(33)21(3625(22)312010916(29)1419(20)30)13151117(27(23)4)23(32)18(1215)28(56)7h9143132H8H217H3b2113
MFCD08049093
STK003157
ZINC000101375736
ZINC101375736

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Available files

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