Vitas-M small molecule compound
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Catalog ID
STL052036
SMILES COc1cccc(c1)C1=NC(c2c(N1)n(CCc1ccc(c(c1)OC)OC)c(=O)nc2O)(C(F)(F)F)C(F)(F)F
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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 C25H22F6N4O5 MW 572.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F6N4O5/c1-38-15-6-4-5-14(12-15)19-32-20-18(23(34-19,24(26,27)28)25(29,30)31)21(36)33-22(37)35(20)10-9-13-7-8-16(39-2)17(11-13)40-3/h4-8,11-12H,9-10H2,1-3H3,(H,32,34)(H,33,36,37)InChIKey
HWPYARFDYCNRQX-UHFFFAOYSA-NSynonyms
1(2(34dimethoxyphenyl)ethyl)4hydroxy7(3methoxyphenyl)55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidin2(1H)one
1(2(34DIMETHOXYPHENYL)ETHYL)7(3METHOXYPHENYL)55BIS(TRIFLUOROMETHYL)8HPYRIMIDO(45D)PYRIMIDINE24DIONE
COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC(=CC=C4)OC)(C(F)(F)F)C(F)(F)F)OC
InChI=1SC25H22F6N4O5c1381564514(1215)19322018(23(341924(2627)28)25(2930)31)21(36)3322(37)35(20)109137816(392)17(1113)403h481112H910H213H3(H3234)(H333637)
MFCD05729773
ZINC000001263394
ZINC01263394
ZINC1263394
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