Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL390622
SMILES N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)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 C26H23N7O4 MW 497.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N7O4/c1-37-23-8-7-16(10-17(23)14-31-15-19(13-30-31)33(35)36)24-20(11-27)26(28)32(18-4-3-9-29-12-18)21-5-2-6-22(34)25(21)24/h3-4,7-10,12-13,15,24H,2,5-6,14,28H2,1H3InChIKey
QKVUDFRGTQZTQM-UHFFFAOYSA-NSynonyms
515175-77-62amino4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)5oxo1(pyridin3yl)145678hexahydroquinoline3carbonitrile
2amino4(4methoxy3((4nitropyrazol1yl)methyl)phenyl)5oxo1pyridin3yl4678tetrahydroquinoline3carbonitrile
515175776
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC26H23N7O4c137238716(1017(23)14311519(133031)33(35)36)2420(1127)26(28)32(18439291218)2152622(34)25(21)24h3471012131524H2561428H21H3
MFCD03758531
N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)CCC2
ZINC000008450669
ZINC000008450670
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