Vitas-M small molecule compound
3-{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}propan-1-ol
Catalog ID
STK945389
SMILES OCCCn1c(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 C20H21ClN6O2 MW 412.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN6O2/c1-13-14(2)26(8-3-9-28)19-18(13)20-24-17(25-27(20)12-22-19)11-29-23-10-15-4-6-16(21)7-5-15/h4-7,10,12,28H,3,8-9,11H2,1-2H3/b23-10+InChIKey
BDKUOXIDINXHAX-AUEPDCJTSA-NSynonyms
(E)4chlorobenzaldehydeO((7(3hydroxypropyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
3(2(((((E)(4chlorophenyl)methylidene)amino)oxy)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)propan1ol
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CON=CC4=CC=C(C=C4)Cl)CCCO)C
InChI=1SC20H21ClN6O2c11314(2)26(83928)1918(13)202417(2527(20)122219)11292310154616(21)7515h47101228H38911H212H3b2310+
MFCD08749175
OCCCn1c(C)c(c2c1ncn1c2nc(n1)CON=Cc1ccc(cc1)Cl)C
ZINC000013629167
ZINC59728242
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