Vitas-M small molecule compound
2-[({[(E)-(2-chlorophenyl)methylidene]amino}oxy)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270621
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C/c1ccccc1Cl)CC(CC2=O)(C)C
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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 C29H26ClN5O4 MW 544.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN5O4/c1-29(2)12-21(36)25-22(13-29)39-28-26(24(25)17-8-10-19(37-3)11-9-17)27-33-23(34-35(27)16-31-28)15-38-32-14-18-6-4-5-7-20(18)30/h4-11,14,16,24H,12-13,15H2,1-3H3/b32-14+InChIKey
WNMKGKRQDAUPQW-HIWRWHBISA-NSynonyms
848730-42-7(E)2chlorobenzaldehydeO((12(4methoxyphenyl)99dimethyl11oxo9101112tetrahydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
2(((((E)(2chlorophenyl)methylidene)amino)oxy)methyl)12(4methoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
848730427
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CON=CC5=CC=CC=C5Cl)C6=CC=C(C=C6)OC)C(=O)C1)C
COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CON=Cc1ccccc1Cl)CC(CC2=O)(C)C
InChI=1SC29H26ClN5O4c129(2)1221(36)2522(1329)392826(24(25)1781019(373)11917)273323(3435(27)163128)1538321418645720(18)30h411141624H121315H213H3b3214+
MFCD04193967
ZINC000002429342
ZINC000002429344
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