Vitas-M small molecule compound

(4E)-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL150560
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2)C)\O)/C(=O)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 C31H30N2O4S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4S/c1-6-37-22-15-16-23-24(17-22)38-30(32-23)33-26(19-11-13-21(14-12-19)31(3,4)5)25(28(35)29(33)36)27(34)20-9-7-18(2)8-10-20/h7-17,26,34H,6H2,1-5H3/b27-25+
InChIKey
GDVDRSQIIFUXEG-IMVLJIQESA-N
Synonyms
514192-72-4
(4E)5(4tertbutylphenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(4methylphenyl)methylidene)pyrrolidine23dione
5(4(TERTBUTYL)PHENYL)1(6ETHOXYBENZOTHIAZOL2YL)3HYDROXY4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
514192724
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)C)O)C(=O)C3=O)C5=CC=C(C=C5)C(C)(C)C
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
InChI=1SC31H30N2O4Sc16372215162324(1722)3830(3223)3326(19111321(141219)31(34)5)25(28(35)29(33)36)27(34)209718(2)81020h7172634H6H215H3b2725+
MFCD03813346
ZINC000102932298
ZINC000102932302

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Available files

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