Vitas-M small molecule compound
(4E)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK567945
SMILES CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
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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 C33H32N2O7S MW 600.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O7S/c1-5-13-41-25-12-7-19(16-26(25)40-6-2)29-28(30(36)20-8-11-24-21(15-20)14-18(3)42-24)31(37)32(38)35(29)33-34-23-10-9-22(39-4)17-27(23)43-33/h7-12,15-18,29,36H,5-6,13-14H2,1-4H3/b30-28+InChIKey
DTHIODGYPLTDIV-SJCQXOIGSA-NSynonyms
(4E)5(3ethoxy4propoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
893697546
CCCOC1=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)OC)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC33H32N2O7Sc1513412512719(1626(25)4062)2928(30(36)208112421(1520)1418(3)4224)31(37)32(38)35(29)33342310922(394)1727(23)4333h71215182936H561314H214H3b3028+
MFCD05730579
ZINC000102549918
ZINC000102652277
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