Vitas-M small molecule compound
cyclohexyl 7-[4-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK914812
SMILES FC(Oc1ccc(cc1)C1C(=C(C)Nc2n1ncn2)C(=O)OC1CCCCC1)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 C20H22F2N4O3 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F2N4O3/c1-12-16(18(27)28-14-5-3-2-4-6-14)17(26-20(25-12)23-11-24-26)13-7-9-15(10-8-13)29-19(21)22/h7-11,14,17,19H,2-6H2,1H3,(H,23,24,25)InChIKey
OSQMLIBBTGAATH-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OC(F)F)C(=O)OC4CCCCC4
CYCLOHEXYL7(4(DIFLUOROMETHOXY)PHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
cyclohexyl7(4(difluoromethoxy)phenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC20H22F2N4O3c11216(18(27)28145324614)17(2620(2512)23112426)137915(10813)2919(21)22h711141719H26H21H3(H232425)
MFCD05031833
ZINC000004878623
ZINC000004878625
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