Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL049487
SMILES CCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
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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 C34H34N2O7S MW 614.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O7S/c1-5-7-14-42-26-13-8-20(17-27(26)40-4)30-29(31(37)21-9-12-25-22(16-21)15-19(3)43-25)32(38)33(39)36(30)34-35-24-11-10-23(41-6-2)18-28(24)44-34/h8-13,16-19,30,37H,5-7,14-15H2,1-4H3/b31-29+InChIKey
AIDHPMBPRMNHNY-OWWNRXNESA-NSynonyms
893698-49-2(4E)5(4butoxy3methoxyphenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893698492
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)OCC)OC
CCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC34H34N2O7Sc15714422613820(1727(26)404)3029(31(37)219122522(1621)1519(3)4325)32(38)33(39)36(30)343524111023(4162)1828(24)4434h81316193037H571415H214H3b3129+
MFCD05728833
ZINC000102887348
ZINC000102887354
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