Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-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
STL052371
SMILES CCCCOc1cccc(c1)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 C33H32N2O6S MW 584.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O6S/c1-4-6-14-40-23-9-7-8-20(17-23)29-28(30(36)21-10-13-26-22(16-21)15-19(3)41-26)31(37)32(38)35(29)33-34-25-12-11-24(39-5-2)18-27(25)42-33/h7-13,16-19,29,36H,4-6,14-15H2,1-3H3/b30-28+InChIKey
SMDXLISVZLECHP-SJCQXOIGSA-NSynonyms
893699-44-0(4E)5(3butoxyphenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893699440
CCCCOC1=CC=CC(=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
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC33H32N2O6Sc14614402397820(1723)2928(30(36)2110132622(1621)1519(3)4126)31(37)32(38)35(29)333425121124(3952)1827(25)4233h71316192936H461415H213H3b3028+
MFCD05727053
ZINC000102889731
ZINC000102889739
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