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}-N,N-dimethylethanamine

Catalog ID
STK612586
SMILES CN(CCn1c(C)c(c2c1ncn1c2nc(n1)CO/N=C/c1ccc(cc1)Cl)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 C21H24ClN7O MW 425.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN7O/c1-14-15(2)28(10-9-27(3)4)20-19(14)21-25-18(26-29(21)13-23-20)12-30-24-11-16-5-7-17(22)8-6-16/h5-8,11,13H,9-10,12H2,1-4H3/b24-11+
InChIKey
SWEDMIZGFRPFDI-BHGWPJFGSA-N
Synonyms
904009-72-9
(E)4chlorobenzaldehydeO((7(2(dimethylamino)ethyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
2(2(((((E)(4chlorophenyl)methylidene)amino)oxy)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdimethylethanamine
904009729
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CON=CC4=CC=C(C=C4)Cl)CCN(C)C)C
CN(CCn1c(C)c(c2c1ncn1c2nc(n1)CON=Cc1ccc(cc1)Cl)C)C
InChI=1SC21H24ClN7Oc11415(2)28(10927(3)4)2019(14)212518(2629(21)132320)12302411165717(22)8616h581113H91012H214H3b2411+
MFCD08289452
ZINC000013607872
ZINC59720461

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Available files

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