Vitas-M small molecule compound
2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755700
SMILES CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=O)[O-])C#N
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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 C26H26N4O3 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3/c1-4-16-8-10-17(11-9-16)23-20(15-27)25(28)29(18-6-5-7-19(12-18)30(32)33)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,28H2,1-3H3InChIKey
OZWWISQEFNKKLS-UHFFFAOYSA-NSynonyms
311773-56-52amino4(4ethylphenyl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4ETHYLPHENYL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311773565
CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N
CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC26H26N4O3c141681017(11916)2320(1527)25(28)29(1865719(1218)30(32)33)211326(23)1422(31)24(21)23h51223H4131428H213H3
MFCD01113539
ZINC000000713599
ZINC000000713600
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