Vitas-M small molecule compound

(E)-1-(2-chlorophenyl)-N-{[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}methanimine

Catalog ID
STK572516
SMILES COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)CO/N=C/c1ccccc1Cl)c1ccccc1

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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 C31H24ClN7O3 MW 578.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24ClN7O3/c1-19-26-27(22-13-7-9-15-24(22)40-2)28-29-35-25(17-41-34-16-20-10-6-8-14-23(20)32)37-38(29)18-33-30(28)42-31(26)39(36-19)21-11-4-3-5-12-21/h3-16,18,27H,17H2,1-2H3/b34-16+
InChIKey
OSAAFHUCBSQOOW-AABVJFSESA-N
Synonyms
892613-86-4
(E)1(2chlorophenyl)N((11(2methoxyphenyl)10methyl8phenyl811dihydropyrazolo(4356)pyrano(32e)(124)triazolo(15c)pyrimidin2yl)methoxy)methanimine
(E)2chlorobenzaldehydeO((11(2methoxyphenyl)10methyl8phenyl811dihydropyrazolo(4356)pyrano(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
892613864
CC1=NN(C2=C1C(C3=C(O2)N=CN4C3=NC(=N4)CON=CC5=CC=CC=C5Cl)C6=CC=CC=C6OC)C7=CC=CC=C7
COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)CON=Cc1ccccc1Cl)c1ccccc1
InChI=1SC31H24ClN7O3c1192627(2213791524(22)402)28293525(174134162010681423(20)32)3738(29)183330(28)4231(26)39(3619)21114351221h3161827H17H212H3b3416+
MFCD07202291
ZINC000097965898
ZINC000097965899

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.