Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170504
SMILES COc1cc(ccc1OCc1ccccc1F)/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 C26H19FN2O7 MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19FN2O7/c1-33-22-11-15(6-8-20(22)34-13-16-4-2-3-5-19(16)27)10-18-24(30)28-26(32)29(25(18)31)17-7-9-21-23(12-17)36-14-35-21/h2-12H,13-14H2,1H3,(H,28,30,32)/b18-10+InChIKey
JHOWAYSICPNQPN-VCHYOVAHSA-NSynonyms
426220-46-4(5E)1(13BENZODIOXOL5YL)5((4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5(4((2FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
426220464
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5F
COc1cc(ccc1OCc1ccccc1F)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC26H19FN2O7c133221115(6820(22)341316423519(16)27)101824(30)2826(32)29(25(18)31)17792123(1217)36143521h212H1314H21H3(H283032)b1810+
MFCD02604588
ZINC000002726788
ZINC02726788
ZINC2726788
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