Vitas-M small molecule compound
prop-2-en-1-yl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK569341
SMILES C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OCC)OCCC(C)C
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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 C34H36N2O9S MW 648.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N2O9S/c1-6-13-45-33(40)31-20(5)35-34(46-31)36-28(21-8-10-23(25(17-21)41-7-2)42-14-12-19(3)4)27(30(38)32(36)39)29(37)22-9-11-24-26(18-22)44-16-15-43-24/h6,8-11,17-19,28,37H,1,7,12-16H2,2-5H3/b29-27+InChIKey
MDERYTBUDOXSNU-ORIPQNMZSA-NSynonyms
C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(c(c1)OCC)OCCC(C)C
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C)OCCC(C)C
InChI=1SC34H36N2O9Sc16134533(40)3120(5)3534(4631)3628(2181023(25(1721)4172)42141219(3)4)27(30(38)32(36)39)29(37)229112426(1822)4416154324h681117192837H171216H225H3b2927+
MFCD05735773
prop2en1yl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(3ethoxy4(3methylbutoxy)phenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)2(3ETHOXY4(3METHYLBUTOXY)PHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150463053
ZINC000150463056
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