Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL390331
SMILES N#CC1=C(N)N(c2ccccc2)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 C27H24N6O4 MW 496.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N6O4/c1-37-24-11-10-17(12-18(24)15-31-16-20(14-30-31)33(35)36)25-21(13-28)27(29)32(19-6-3-2-4-7-19)22-8-5-9-23(34)26(22)25/h2-4,6-7,10-12,14,16,25H,5,8-9,15,29H2,1H3InChIKey
GNOYWNPXCOXMSO-UHFFFAOYSA-NSynonyms
515148-95-52amino4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)5oxo1phenyl145678hexahydroquinoline3carbonitrile
2amino4(4methoxy3((4nitropyrazol1yl)methyl)phenyl)5oxo1phenyl4678tetrahydroquinoline3carbonitrile
515148955
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC27H24N6O4c13724111017(1218(24)15311620(143031)33(35)36)2521(1328)27(29)32(196324719)2285923(34)26(22)25h24671012141625H5891529H21H3
MFCD03758242
N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)CCC2
ZINC000000689141
ZINC000000689142
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