Vitas-M small molecule compound

(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

Catalog ID
STK020483
SMILES Cc1ccc(cc1)C(=O)CN1C(=O)S/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/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 C27H31NO4S MW 465.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4S/c1-16-8-10-18(11-9-16)21(29)15-28-24(31)22(33-25(28)32)14-17-12-19(26(2,3)4)23(30)20(13-17)27(5,6)7/h8-14,30H,15H2,1-7H3/b22-14-
InChIKey
BUSMDHQTXKRFCL-HMAPJEAMSA-N
Synonyms

(5Z)5((35DITERTBUTYL4HYDROXYPHENYL)METHYLIDENE)3(2(4METHYLPHENYL)2OXOETHYL)13THIAZOLIDINE24DIONE
(5Z)5(35DITERTBUTYL4HYDROXYBENZYLIDENE)3(2(4METHYLPHENYL)2OXOETHYL)13THIAZOLIDINE24DIONE
5(35DITERTBUTYL4HYDROXYBENZYLIDENE)3(2(4METHYLPHENYL)2OXOETHYL)13THIAZOLIDINE24DIONE
CC1=CC=C(C=C1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)SC2=O
Cc1ccc(cc1)C(=O)CN1C(=O)SC(=Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C1=O
InChI=1SC27H31NO4Sc11681018(11916)21(29)152824(31)22(3325(28)32)14171219(26(23)4)23(30)20(1317)27(56)7h81430H15H217H3b2214
MFCD03236265
STK020483
ZINC000002168594
ZINC02168594
ZINC2168594

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Available files

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