Vitas-M small molecule compound

(1Z)-6,7-dimethoxy-3,3-dimethyl-1-(nitromethylidene)-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK524049
SMILES COc1cc2c(cc1OC)CC(N/C/2=C\[N+](=O)[O-])(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 C14H18N2O4 MW 278.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O4/c1-14(2)7-9-5-12(19-3)13(20-4)6-10(9)11(15-14)8-16(17)18/h5-6,8,15H,7H2,1-4H3/b11-8-
InChIKey
ILPRHKWBHQJWMR-FLIBITNWSA-N
Synonyms

(1Z)67dimethoxy33dimethyl1(nitromethylidene)1234tetrahydroisoquinoline
(1Z)67DIMETHOXY33DIMETHYL1(NITROMETHYLIDENE)24DIHYDROISOQUINOLINE
CC1(CC2=CC(=C(C=C2C(=C(N+)(=O)(O))N1)OC)OC)C
COc1cc2c(cc1OC)CC(NC2=C(N+)(=O)(O))(C)C
InChI=1SC14H18N2O4c114(2)79512(193)13(204)610(9)11(1514)816(17)18h56815H7H214H3b118
MFCD03059849
ZINC000100123655
ZINC100123655

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.