Vitas-M small molecule compound

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

Catalog ID
STL047833
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)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 C29H26N2O3S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O3S/c1-16(2)19-10-12-20(13-11-19)25-24(26(32)21-8-5-17(3)6-9-21)27(33)28(34)31(25)29-30-22-14-7-18(4)15-23(22)35-29/h5-16,25,32H,1-4H3/b26-24+
InChIKey
VMWGITFZTRXDSC-SHHOIMCASA-N
Synonyms
514188-68-2
(4E)4(hydroxy(4methylphenyl)methylidene)1(6methyl13benzothiazol2yl)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
3HYDROXY1(6METHYLBENZOTHIAZOL2YL)5(4(METHYLETHYL)PHENYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
514188682
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=C(C=C5)C(C)C)O
Cc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC29H26N2O3Sc116(2)19101220(131119)2524(26(32)218517(3)6921)27(33)28(34)31(25)29302214718(4)1523(22)3529h5162532H14H3b2624+
MFCD03796453
ZINC000102884140
ZINC000102884141

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Available files

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