Vitas-M small molecule compound
methyl [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetate
Catalog ID
STK128038
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCC(=O)OC)CC=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 C26H24N2O9 MW 508.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O9/c1-4-6-16-9-15(11-21(34-5-2)23(16)35-13-22(29)33-3)10-18-24(30)27-26(32)28(25(18)31)17-7-8-19-20(12-17)37-14-36-19/h4,7-12H,1,5-6,13-14H2,2-3H3,(H,27,30,32)/b18-10+InChIKey
KAGIAHQQUJWSKS-VCHYOVAHSA-NSynonyms
CCOC1=CC(=CC(=C1OCC(=O)OC)CC=C)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCC(=O)OC)CC=C
InChI=1SC26H24N2O9c14616915(1121(3452)23(16)351322(29)333)101824(30)2726(32)28(25(18)31)17781920(1217)37143619h4712H1561314H223H3(H273032)b1810+
METHYL(4((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXY6(PROP2EN1YL)PHENOXY)ACETATE
METHYL2(4((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2ETHOXY6PROP2ENYLPHENOXY)ACETATE
MFCD03238350
ZINC000009323844
ZINC09323844
ZINC9323844
Check stock
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.