Vitas-M small molecule compound

(2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-[4-(1H-imidazol-1-yl)-3-nitrophenyl]ethanone

Catalog ID
STL151372
SMILES COc1cc2/C(=C/C(=O)c3ccc(c(c3)[N+](=O)[O-])n3cncc3)/NCCc2cc1OC

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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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-30-21-10-14-5-6-24-17(16(14)11-22(21)31-2)12-20(27)15-3-4-18(19(9-15)26(28)29)25-8-7-23-13-25/h3-4,7-13,24H,5-6H2,1-2H3/b17-12-
InChIKey
IKBQXHGASUOHAO-ATVHPVEESA-N
Synonyms
883956-85-2
(2Z)2(67DIMETHOXY34DIHYDRO2HISOQUINOLIN1YLIDENE)1(4IMIDAZOL1YL3NITROPHENYL)ETHANONE
(2Z)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)1(4(1Himidazol1yl)3nitrophenyl)ethanone
(Z)1(4(1Himidazol1yl)3nitrophenyl)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)ethanone
883956852
COC1=C(C=C2C(=C1)CCNC2=CC(=O)C3=CC(=C(C=C3)N4C=CN=C4)(N+)(=O)(O))OC
COc1cc2C(=CC(=O)c3ccc(c(c3)(N+)(=O)(O))n3cncc3)NCCc2cc1OC
InChI=1SC22H20N4O5c130211014562417(16(14)1122(21)312)1220(27)153418(19(915)26(28)29)2587231325h3471324H56H212H3b1712
MFCD06772274
ZINC000009014628
ZINC09014628
ZINC9014628

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Available files

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