Vitas-M small molecule compound
(4E)-5-(3-ethoxy-4-propoxyphenyl)-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
STL042167
SMILES CCCOc1ccc(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 C32H29FN2O6S MW 588.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29FN2O6S/c1-4-12-40-24-11-6-18(15-25(24)39-5-2)28-27(29(36)19-7-10-23-20(14-19)13-17(3)41-23)30(37)31(38)35(28)32-34-22-9-8-21(33)16-26(22)42-32/h6-11,14-17,28,36H,4-5,12-13H2,1-3H3/b29-27+InChIKey
WTTCCECBSHTVAU-ORIPQNMZSA-NSynonyms
877794-12-2(4E)5(3ethoxy4propoxyphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877794122
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)F)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC32H29FN2O6Sc1412402411618(1525(24)3952)2827(29(36)197102320(1419)1317(3)4123)30(37)31(38)35(28)3234229821(33)1626(22)4232h61114172836H451213H213H3b2927+
MFCD05736159
ZINC000102869636
ZINC000102869650
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