Vitas-M small molecule compound
2-[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL396118
SMILES Cn1ncc(c1)C1c2c(C)[nH]nc2Oc2c1c1nc(nn1cn2)c1nn(c(c1Cl)C(F)(F)F)C
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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 C19H14ClF3N10O MW 490.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClF3N10O/c1-7-9-10(8-4-25-31(2)5-8)11-16-26-15(13-12(20)14(19(21,22)23)32(3)29-13)30-33(16)6-24-17(11)34-18(9)28-27-7/h4-6,10H,1-3H3,(H,27,28)InChIKey
ITTGPWYLSBLMEE-UHFFFAOYSA-NSynonyms
1006322-01-51006322015
2(4chloro1methyl5(trifluoromethyl)1Hpyrazol3yl)10methyl11(1methyl1Hpyrazol4yl)911dihydropyrazolo(4356)pyrano(32e)(124)triazolo(15c)pyrimidine
CC1=C2C(C3=C(N=CN4C3=NC(=N4)C5=NN(C(=C5Cl)C(F)(F)F)C)OC2=NN1)C6=CN(N=C6)C
Cn1ncc(c1)C1c2c(C)(nH)nc2Oc2c1c1nc(nn1cn2)c1nn(c(c1Cl)C(F)(F)F)C
InChI=1SC19H14ClF3N10Oc17910(842531(2)58)11162615(1312(20)14(19(2122)23)32(3)2913)3033(16)62417(11)3418(9)28277h4610H13H3(H2728)
MFCD08554025
ZINC000022749088
ZINC000022749092
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