Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK316128
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)C(=O)CC(C2)(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 C29H27ClN6O4 MW 559.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN6O4/c1-29(2)11-23-27(24(37)12-29)26(22(13-31)28(32)35(23)20-7-5-19(30)6-8-20)17-4-9-25(40-3)18(10-17)15-34-16-21(14-33-34)36(38)39/h4-10,14,16,26H,11-12,15,32H2,1-3H3InChIKey
SWMILAYMCZUKIZ-UHFFFAOYSA-NSynonyms
491829-10-82amino1(4chlorophenyl)4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLOROPHENYL)4(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
491829108
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC29H27ClN6O4c129(2)112327(24(37)1229)26(22(1331)28(32)35(23)207519(30)6820)174925(403)18(1017)15341621(143334)36(38)39h410141626H11121532H213H3
MFCD03071394
N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
ZINC000000679900
ZINC000000679901
Check stock
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Check stock on Vitas-MAvailable files
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