Vitas-M small molecule compound

2-[({[(E)-(2-chlorophenyl)methylidene]amino}oxy)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one

Catalog ID
STK270384
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)CO/N=C/c1ccccc1Cl

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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 C28H24ClN5O3 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN5O3/c1-28(2)12-20(35)24-21(13-28)37-27-25(23(24)17-8-4-3-5-9-17)26-32-22(33-34(26)16-30-27)15-36-31-14-18-10-6-7-11-19(18)29/h3-11,14,16,23H,12-13,15H2,1-2H3/b31-14+
InChIKey
WVCWTGJJONNZLV-XAZZYMPDSA-N
Synonyms
847273-07-8
(E)2chlorobenzaldehydeO((99dimethyl11oxo12phenyl9101112tetrahydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
2(((((E)(2chlorophenyl)methylidene)amino)oxy)methyl)99dimethyl12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
847273078
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CON=CC5=CC=CC=C5Cl)C6=CC=CC=C6)C(=O)C1)C
InChI=1SC28H24ClN5O3c128(2)1220(35)2421(1328)372725(23(24)178435917)263222(3334(26)163027)153631141810671119(18)29h311141623H121315H212H3b3114+
MFCD04179543
O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)CON=Cc1ccccc1Cl
ZINC000002199333
ZINC000002199338

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Available files

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