Vitas-M small molecule compound
(5Z)-1-(1,3-benzodioxol-5-yl)-5-(2,3,4-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176785
SMILES COc1ccc(c(c1OC)OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C21H18N2O8 MW 426.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O8/c1-27-15-6-4-11(17(28-2)18(15)29-3)8-13-19(24)22-21(26)23(20(13)25)12-5-7-14-16(9-12)31-10-30-14/h4-9H,10H2,1-3H3,(H,22,24,26)/b13-8-InChIKey
DRSHVVOKSYVRQD-JYRVWZFOSA-NSynonyms
(5Z)1(13BENZODIOXOL5YL)5((234TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(13BENZODIOXOL5YL)5(234TRIMETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)3(13BENZODIOXOL5YL)6HYDROXY5(234TRIMETHOXYBENZYLIDENE)PYRIMIDINE24(3H5H)DIONE
(Z)1(benzo(d)(13)dioxol5yl)5(234trimethoxybenzylidene)pyrimidine246(1H3H5H)trione
COC1=C(C(=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OC)OC
COc1ccc(c(c1OC)OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC21H18N2O8c127156411(17(282)18(15)293)81319(24)2221(26)23(20(13)25)12571416(912)31103014h49H10H213H3(H222426)b138
MFCD02628969
ZINC13810140
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