Vitas-M small molecule compound
2-{4-[(4-chloro-3-methylphenoxy)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
STL397164
SMILES Cn1ncc(c1)C1c2c(n[nH]c2C)Oc2c1c1nc(nn1cn2)c1ccc(cc1)COc1ccc(c(c1)C)Cl
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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 C28H23ClN8O2 MW 539.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN8O2/c1-15-10-20(8-9-21(15)29)38-13-17-4-6-18(7-5-17)25-32-26-24-23(19-11-31-36(3)12-19)22-16(2)33-34-28(22)39-27(24)30-14-37(26)35-25/h4-12,14,23H,13H2,1-3H3,(H,33,34)InChIKey
LFJZAFNOLOJGCE-UHFFFAOYSA-NSynonyms
1005691-61-11005691611
2(4((4chloro3methylphenoxy)methyl)phenyl)10methyl11(1methyl1Hpyrazol4yl)911dihydropyrazolo(4356)pyrano(32e)(124)triazolo(15c)pyrimidine
CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C(C6=C(NN=C6O5)C)C7=CN(N=C7)C)Cl
Cn1ncc(c1)C1c2c(n(nH)c2C)Oc2c1c1nc(nn1cn2)c1ccc(cc1)COc1ccc(c(c1)C)Cl
InChI=1SC28H23ClN8O2c1151020(8921(15)29)3813174618(7517)2532262423(19113136(3)1219)2216(2)333428(22)3927(24)301437(26)3525h4121423H13H213H3(H3334)
MFCD08553371
ZINC000097945925
ZINC000097945927
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