Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL148257
SMILES COc1ccc2c(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 C30H28N2O4S MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4S/c1-17-6-8-19(9-7-17)26(33)24-25(18-10-12-20(13-11-18)30(2,3)4)32(28(35)27(24)34)29-31-22-15-14-21(36-5)16-23(22)37-29/h6-16,25,33H,1-5H3/b26-24+InChIKey
NJJRWEJWDNYZJP-SHHOIMCASA-NSynonyms
514186-69-7(4E)5(4tertbutylphenyl)4(hydroxy(4methylphenyl)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
5(4(TERTBUTYL)PHENYL)3HYDROXY1(6METHOXYBENZOTHIAZOL2YL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
514186697
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OC)C5=CC=C(C=C5)C(C)(C)C)O
COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
InChI=1SC30H28N2O4Sc1176819(9717)26(33)2425(18101220(131118)30(23)4)32(28(35)27(24)34)293122151421(365)1623(22)3729h6162533H15H3b2624+
MFCD03808013
ZINC000102926412
ZINC000102926417
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