Vitas-M small molecule compound
1-(2-methyl-5-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781232
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1cc(ccc1C)[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 C26H21N5O3 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N5O3/c1-17-9-10-19(31(33)34)14-22(17)30-21-7-4-8-23(32)25(21)24(18-6-5-11-28-16-18)20(15-27)26(30)29-12-2-3-13-29/h2-3,5-6,9-14,16,24H,4,7-8H2,1H3InChIKey
BXXISQVWMWDCIA-UHFFFAOYSA-NSynonyms
1(2methyl5nitrophenyl)5oxo4(pyridin3yl)2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(2methyl5nitrophenyl)5oxo4pyridin3yl2pyrrol1yl4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)CCC3
InChI=1SC26H21N5O3c11791019(31(33)34)1422(17)302174823(32)25(21)24(186511281618)20(1527)26(30)2912231329h23569141624H478H21H3
MFCD06014550
N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1cc(ccc1C)(N+)(=O)(O)
ZINC000001433024
ZINC000001433025
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