Vitas-M small molecule compound
ethyl (2-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK176714
SMILES CCOC(=O)COc1ccccc1/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 C22H18N2O8 MW 438.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O8/c1-2-29-19(25)11-30-16-6-4-3-5-13(16)9-15-20(26)23-22(28)24(21(15)27)14-7-8-17-18(10-14)32-12-31-17/h3-10H,2,11-12H2,1H3,(H,23,26,28)/b15-9-InChIKey
IJSOLHISSQDLQG-DHDCSXOGSA-NSynonyms
CCOC(=O)COC1=CC=CC=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
ETHYL(2((Z)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2((Z)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H18N2O8c122919(25)113016643513(16)91520(26)2322(28)24(21(15)27)14781718(1014)32123117h310H21112H21H3(H232628)b159
MFCD02905045
ZINC000000874145
ZINC00874145
ZINC874145
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