Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK568930
SMILES CCCOc1ccc(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 C32H30N2O6S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O6S/c1-4-14-39-22-9-6-19(7-10-22)28-27(29(35)20-8-13-25-21(16-20)15-18(3)40-25)30(36)31(37)34(28)32-33-24-12-11-23(38-5-2)17-26(24)41-32/h6-13,16-18,28,35H,4-5,14-15H2,1-3H3/b29-27+InChIKey
PLMMJNOPBRXDEX-ORIPQNMZSA-NSynonyms
893699-07-5(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4propoxyphenyl)pyrrolidine23dione
893699075
CCCOC1=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
CCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC32H30N2O6Sc141439229619(71022)2827(29(35)208132521(1620)1518(3)4025)30(36)31(37)34(28)323324121123(3852)1726(24)4132h61316182835H451415H213H3b2927+
MFCD05733532
ZINC000102554993
ZINC000102653934
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