Vitas-M small molecule compound
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK568105
SMILES COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-15-5-8-20-24(11-15)39-30(31-20)32-26(17-6-10-22(36-3)23(14-17)37-4)25(28(34)29(32)35)27(33)18-7-9-21-19(13-18)12-16(2)38-21/h5-11,13-14,16,26,33H,12H2,1-4H3/b27-25+InChIKey
BGVFESSXRRYENF-IMVLJIQESA-NSynonyms
877794-92-8(4E)5(34dimethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
877794928
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=C(C=C6)OC)OC)O
COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H26N2O6Sc115582024(1115)3930(3120)3226(1761022(363)23(1417)374)25(28(34)29(32)35)27(33)18792119(1318)1216(2)3821h5111314162633H12H214H3b2725+
MFCD05738796
ZINC000102550686
ZINC000102652017
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