Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Catalog ID
STK570484
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(cc1)C
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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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-15-4-6-17(7-5-15)25-24(26(32)18-8-11-22-19(13-18)12-16(2)36-22)27(33)28(34)31(25)29-30-21-10-9-20(35-3)14-23(21)37-29/h4-11,13-14,16,25,32H,12H2,1-3H3/b26-24+InChIKey
KUWBIPVPBQHEKA-SHHOIMCASA-NSynonyms
877801-58-6(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(4methylphenyl)pyrrolidine23dione
877801586
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC=C(C=C6)C)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(cc1)C
InChI=1SC29H24N2O5Sc1154617(7515)2524(26(32)188112219(1318)1216(2)3622)27(33)28(34)31(25)29302110920(353)1423(21)3729h4111314162532H12H213H3b2624+
MFCD05731315
ZINC000102562762
ZINC000102655963
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