Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-{[3-(trifluoromethyl)benzyl]amino}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL126608
SMILES O=c1[nH]c2nc(NCc3cccc(c3)C(F)(F)F)ncc2c(=O)n1c1ccc2c(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 C21H14F3N5O4 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3N5O4/c22-21(23,24)12-3-1-2-11(6-12)8-25-19-26-9-14-17(27-19)28-20(31)29(18(14)30)13-4-5-15-16(7-13)33-10-32-15/h1-7,9H,8,10H2,(H2,25,26,27,28,31)InChIKey
XCTSICLOJFHIBN-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7((3(trifluoromethyl)benzyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2((3(trifluoromethyl)phenyl)methylamino)8Hpyrimido(45d)pyrimidine57dione
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=CN=C(N=C4NC3=O)NCC5=CC(=CC=C5)C(F)(F)F
InChI=1SC21H14F3N5O4c2221(2324)1231211(612)825192691417(2719)2820(31)29(18(14)30)13451516(713)33103215h179H810H2(H22526272831)
MFCD20739237
O=c1(nH)c2nc(NCc3cccc(c3)C(F)(F)F)ncc2c(=O)n1c1ccc2c(c1)OCO2
ZINC000102911914
ZINC102911914
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