Vitas-M small molecule compound
(2Z)-8-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
Catalog ID
STK629083
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc2c3CN(CO2)c2ccc3c(c2)OCO3)cc(c1OC)OC
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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 C27H23NO8 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO8/c1-30-23-9-15(10-24(31-2)27(23)32-3)8-22-25(29)17-5-7-19-18(26(17)36-22)12-28(13-33-19)16-4-6-20-21(11-16)35-14-34-20/h4-11H,12-14H2,1-3H3/b22-8-InChIKey
JEWOLJWLPGKGRB-UYOCIXKTSA-NSynonyms
951963-35-2(2Z)8(13benzodioxol5yl)2((345trimethoxyphenyl)methylidene)79dihydrofuro(23f)(13)benzoxazin3one
(2Z)8(13benzodioxol5yl)2(345trimethoxybenzylidene)89dihydro7Hfuro(23f)(13)benzoxazin3(2H)one
(Z)8(benzo(d)(13)dioxol5yl)2(345trimethoxybenzylidene)89dihydro2Hbenzofuro(76e)(13)oxazin3(7H)one
951963352
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C4=C(C=C3)OCN(C4)C5=CC6=C(C=C5)OCO6
COc1cc(C=C2Oc3c(C2=O)ccc2c3CN(CO2)c2ccc3c(c2)OCO3)cc(c1OC)OC
InChI=1SC27H23NO8c13023915(1024(312)27(23)323)82225(29)17571918(26(17)3622)1228(133319)16462021(1116)35143420h411H1214H213H3b228
MFCD09858072
ZINC000013732676
ZINC13732676
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