Vitas-M small molecule compound
[4-(8,9-dimethyl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenoxy]acetonitrile
Catalog ID
STK112503
SMILES N#CCOc1ccc(cc1)C1Nc2c(cc(c(c2C2C1CC=C2)C)C)[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 C22H21N3O3 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3/c1-13-12-19(25(26)27)22-20(14(13)2)17-4-3-5-18(17)21(24-22)15-6-8-16(9-7-15)28-11-10-23/h3-4,6-9,12,17-18,21,24H,5,11H2,1-2H3InChIKey
YIMVLTTYVHYBNO-UHFFFAOYSA-NSynonyms
(4(89DIMETHYL6NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)PHENOXY)ACETONITRILE
2(4(89DIMETHYL6NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)PHENOXY)ACETONITRILE
CC1=CC(=C2C(=C1C)C3C=CCC3C(N2)C4=CC=C(C=C4)OCC#N)(N+)(=O)(O)
InChI=1SC22H21N3O3c1131219(25(26)27)2220(14(13)2)1743518(17)21(2422)156816(9715)28111023h34691217182124H511H212H3
MFCD04127173
N#CCOc1ccc(cc1)C1Nc2c(cc(c(c2C2C1CC=C2)C)C)(N+)(=O)(O)
ZINC000004675444
ZINC000111478485
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