Vitas-M small molecule compound

(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone

Catalog ID
STK600060
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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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 C18H17N3O7 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O7/c1-27-16-7-11-3-4-19(10-13(11)8-17(16)28-2)18(22)12-5-14(20(23)24)9-15(6-12)21(25)26/h5-9H,3-4,10H2,1-2H3
InChIKey
LBEKXJGWWYHKLN-UHFFFAOYSA-N
Synonyms
879461-06-0
(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)(35DINITROPHENYL)METHANONE
(67dimethoxy34dihydroisoquinolin2(1H)yl)(35dinitrophenyl)methanone
879461060
COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))OC
COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H17N3O7c127167113419(1013(11)817(16)282)18(22)12514(20(23)24)915(612)21(25)26h59H3410H212H3
MFCD00264840
ZINC000002214520
ZINC02214520
ZINC2214520

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Available files

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