Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK569347
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C33H31FN2O6S MW 602.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31FN2O6S/c1-4-6-13-41-25-12-7-19(16-26(25)40-5-2)29-28(30(37)20-8-11-24-21(15-20)14-18(3)42-24)31(38)32(39)36(29)33-35-23-10-9-22(34)17-27(23)43-33/h7-12,15-18,29,37H,4-6,13-14H2,1-3H3/b30-28+InChIKey
JBXMZPWYVMVXPR-SJCQXOIGSA-NSynonyms
877810-10-1(4E)5(4butoxy3ethoxyphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877810101
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)F)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC33H31FN2O6Sc14613412512719(1626(25)4052)2928(30(37)208112421(1520)1418(3)4224)31(38)32(39)36(29)33352310922(34)1727(23)4333h71215182937H461314H213H3b3028+
MFCD05729484
ZINC000102557055
ZINC000102656100
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