Vitas-M small molecule compound
2-{3-[(3-methoxyphenoxy)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
STL394045
SMILES COc1cccc(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 C28H24N8O3 MW 520.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N8O3/c1-16-22-23(19-12-30-35(2)13-19)24-26-31-25(34-36(26)15-29-27(24)39-28(22)33-32-16)18-7-4-6-17(10-18)14-38-21-9-5-8-20(11-21)37-3/h4-13,15,23H,14H2,1-3H3,(H,32,33)InChIKey
MHPCFRPYCICEQS-UHFFFAOYSA-NSynonyms
1005573-48-71005573487
2(3((3methoxyphenoxy)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)OC)OC2=NN1)C7=CN(N=C7)C
COc1cccc(c1)OCc1cccc(c1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cnn(c1)C)c(C)(nH)n2
InChI=1SC28H24N8O3c1162223(19123035(2)1319)24263125(3436(26)152927(24)3928(22)333216)1874617(1018)14382195820(1121)373h4131523H14H213H3(H3233)
MFCD08553355
ZINC000022844726
ZINC000022844730
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