Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(trifluoromethyl)phenyl]amino}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776042
SMILES CCOC(=O)C1=C(CNc2ccc(cc2)C(F)(F)F)NC(=O)NC1c1ccc2c(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 C22H20F3N3O5 MW 463.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O5/c1-2-31-20(29)18-15(10-26-14-6-4-13(5-7-14)22(23,24)25)27-21(30)28-19(18)12-3-8-16-17(9-12)33-11-32-16/h3-9,19,26H,2,10-11H2,1H3,(H2,27,28,30)InChIKey
KZPDINQUHLXOPD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNC4=CC=C(C=C4)C(F)(F)F
ethyl4(13benzodioxol5yl)2oxo6(((4(trifluoromethyl)phenyl)amino)methyl)1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)2OXO6((4(TRIFLUOROMETHYL)ANILINO)METHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H20F3N3O5c123120(29)1815(1026146413(5714)22(2324)25)2721(30)2819(18)12381617(912)33113216h391926H21011H21H3(H2272830)
MFCD05258421
ZINC000001422882
ZINC000001422883
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