Vitas-M small molecule compound
(4E)-5-(4-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
STL051533
SMILES CCCCOc1ccc(cc1)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/c1-4-6-15-40-23-10-7-20(8-11-23)29-28(30(36)21-9-14-26-22(17-21)16-19(3)41-26)31(37)32(38)35(29)33-34-25-13-12-24(39-5-2)18-27(25)42-33/h7-14,17-19,29,36H,4-6,15-16H2,1-3H3/b30-28+InChIKey
CHQCVWBAMOCWKO-SJCQXOIGSA-NSynonyms
893698-61-8(4E)5(4butoxyphenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893698618
CCCCOC1=CC=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
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC33H32N2O6Sc14615402310720(81123)2928(30(36)219142622(1721)1619(3)4126)31(37)32(38)35(29)333425131224(3952)1827(25)4233h71417192936H461516H213H3b3028+
MFCD05728607
ZINC000102888951
ZINC000102888954
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