Vitas-M small molecule compound

(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione

Catalog ID
STK562042
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C26H20N2O3S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O3S/c1-15-8-11-18(12-9-15)23(29)21-22(17-6-4-3-5-7-17)28(25(31)24(21)30)26-27-19-13-10-16(2)14-20(19)32-26/h3-14,22,29H,1-2H3/b23-21+
InChIKey
CULBWZKLZZUWJE-XTQSDGFTSA-N
Synonyms
514188-66-0
(4E)4(hydroxy(4methylphenyl)methylidene)1(6methyl13benzothiazol2yl)5phenylpyrrolidine23dione
3HYDROXY1(6METHYLBENZOTHIAZOL2YL)4((4METHYLPHENYL)CARBONYL)5PHENYL3PYRROLIN2ONE
514188660
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5)O
Cc1ccc(cc1)C(=C1C(c2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC26H20N2O3Sc11581118(12915)23(29)2122(176435717)28(25(31)24(21)30)262719131016(2)1420(19)3226h3142229H12H3b2321+
MFCD03816082
ZINC000102509223
ZINC000102509229

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Available files

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