Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Catalog ID
STL052926
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)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 C29H24N2O4S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4S/c1-15-4-7-18(8-5-15)25-24(26(32)19-9-11-22-20(14-19)13-17(3)35-22)27(33)28(34)31(25)29-30-21-10-6-16(2)12-23(21)36-29/h4-12,14,17,25,32H,13H2,1-3H3/b26-24+InChIKey
ZQYWRMVSXFPHDS-SHHOIMCASA-NSynonyms
849917-89-1(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)5(4methylphenyl)pyrrolidine23dione
849917891
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)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)C)O
InChI=1SC29H24N2O4Sc1154718(8515)2524(26(32)199112220(1419)1317(3)3522)27(33)28(34)31(25)29302110616(2)1223(21)3629h41214172532H13H213H3b2624+
MFCD05727858
ZINC000102771004
ZINC000102771009
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