Vitas-M small molecule compound
2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK364254
SMILES N#CC1=C(C)NC2=C(C1c1ccccc1[N+](=O)[O-])C(=O)CCC2
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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 C17H15N3O3 MW 309.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3/c1-10-12(9-18)16(11-5-2-3-7-14(11)20(22)23)17-13(19-10)6-4-8-15(17)21/h2-3,5,7,16,19H,4,6,8H2,1H3InChIKey
NVLIXSNXFOIRPR-UHFFFAOYSA-NSynonyms
2methyl4(2nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2methyl4(2nitrophenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3(N+)(=O)(O))C#N
InChI=1SC17H15N3O3c11012(918)16(11523714(11)20(22)23)1713(1910)64815(17)21h23571619H468H21H3
MFCD00785420
N#CC1=C(C)NC2=C(C1c1ccccc1(N+)(=O)(O))C(=O)CCC2
ZINC000019806076
ZINC000019806078
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