Vitas-M small molecule compound
2-{3-[(3-chlorophenoxy)methyl]phenyl}-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
STL393460
SMILES Clc1cccc(c1)OCc1cccc(c1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cnn(c1)C)c(C)[nH]n2
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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 C27H21ClN8O2 MW 524.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN8O2/c1-15-21-22(18-11-30-35(2)12-18)23-25-31-24(34-36(25)14-29-26(23)38-27(21)33-32-15)17-6-3-5-16(9-17)13-37-20-8-4-7-19(28)10-20/h3-12,14,22H,13H2,1-2H3,(H,32,33)InChIKey
BINXQRNICUNGCY-UHFFFAOYSA-NSynonyms
1005617-61-71005617617
2(3((3chlorophenoxy)methyl)phenyl)10methyl11(1methyl1Hpyrazol4yl)911dihydropyrazolo(4356)pyrano(32e)(124)triazolo(15c)pyrimidine
CC1=C2C(C3=C(N=CN4C3=NC(=N4)C5=CC(=CC=C5)COC6=CC(=CC=C6)Cl)OC2=NN1)C7=CN(N=C7)C
Clc1cccc(c1)OCc1cccc(c1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cnn(c1)C)c(C)(nH)n2
InChI=1SC27H21ClN8O2c1152122(18113035(2)1218)23253124(3436(25)142926(23)3827(21)333215)1763516(917)13372084719(28)1020h3121422H13H212H3(H3233)
MFCD08553368
ZINC000097945363
ZINC000097945364
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