Vitas-M small molecule compound
2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754174
SMILES N#CC1=C(N)N(c2cccc(c2)C)C2=C(C1c1ccc(cc1)[N+](=O)[O-])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 C25H24N4O3 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3/c1-15-5-4-6-18(11-15)28-20-12-25(2,3)13-21(30)23(20)22(19(14-26)24(28)27)16-7-9-17(10-8-16)29(31)32/h4-11,22H,12-13,27H2,1-3H3InChIKey
CYRRUAIRGCJHMF-UHFFFAOYSA-NSynonyms
2amino77dimethyl1(3methylphenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(3METHYLPHENYL)4(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC25H24N4O3c11554618(1115)28201225(23)1321(30)23(20)22(19(1426)24(28)27)167917(10816)29(31)32h41122H121327H213H3
MFCD00825255
N#CC1=C(N)N(c2cccc(c2)C)C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000001056573
ZINC000001056575
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