Vitas-M small molecule compound
2-{2-[({[(E)-(4-chlorophenyl)methylidene]amino}oxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}ethanol
Catalog ID
STK630430
SMILES OCCn1c(C)c(c2c1ncn1c2nc(n1)CO/N=C/c1ccc(cc1)Cl)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 C19H19ClN6O2 MW 398.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN6O2/c1-12-13(2)25(7-8-27)18-17(12)19-23-16(24-26(19)11-21-18)10-28-22-9-14-3-5-15(20)6-4-14/h3-6,9,11,27H,7-8,10H2,1-2H3/b22-9+InChIKey
OXVDANWYNKWWEX-LSFURLLWSA-NSynonyms
(E)4chlorobenzaldehydeO((7(2hydroxyethyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
2(2(((((E)(4chlorophenyl)methylidene)amino)oxy)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)ethanol
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CON=CC4=CC=C(C=C4)Cl)CCO)C
InChI=1SC19H19ClN6O2c11213(2)25(7827)1817(12)192316(2426(19)112118)1028229143515(20)6414h3691127H7810H212H3b229+
MFCD08747074
OCCn1c(C)c(c2c1ncn1c2nc(n1)CON=Cc1ccc(cc1)Cl)C
ZINC000009305312
ZINC95101277
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