Vitas-M small molecule compound

4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide

Catalog ID
STK594186
SMILES CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCc2c(C1)cc(c(c2)OC)OC)CC

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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 C21H27N3O6S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S/c1-5-23(6-2)31(27,28)17-7-8-18(19(13-17)24(25)26)22-10-9-15-11-20(29-3)21(30-4)12-16(15)14-22/h7-8,11-13H,5-6,9-10,14H2,1-4H3
InChIKey
JGJNCKXJUIJLJL-UHFFFAOYSA-N
Synonyms
879449-65-7
4(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)NNDIETHYL3NITROBENZENESULFONAMIDE
4(67dimethoxy34dihydroisoquinolin2(1H)yl)NNdiethyl3nitrobenzenesulfonamide
879449657
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC)(N+)(=O)(O)
CCN(S(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCc2c(C1)cc(c(c2)OC)OC)CC
InChI=1SC21H27N3O6Sc1523(62)31(2728)177818(19(1317)24(25)26)22109151120(293)21(304)1216(15)1422h781113H5691014H214H3
MFCD06794218
ZINC000009088366
ZINC09088366
ZINC9088366

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Available files

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