Vitas-M small molecule compound
2-amino-1-(3,5-dichlorophenyl)-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK316073
SMILES N#CC1=C(N)N(c2cc(Cl)cc(c2)Cl)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 C27H22Cl2N6O4 MW 565.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N6O4/c1-39-24-6-5-15(7-16(24)13-33-14-20(12-32-33)35(37)38)25-21(11-30)27(31)34(19-9-17(28)8-18(29)10-19)22-3-2-4-23(36)26(22)25/h5-10,12,14,25H,2-4,13,31H2,1H3InChIKey
UVUIXEUFAVHRKD-UHFFFAOYSA-NSynonyms
490013-56-42amino1(35dichlorophenyl)4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(35dichlorophenyl)4(4methoxy3((4nitropyrazol1yl)methyl)phenyl)5oxo4678tetrahydroquinoline3carbonitrile
490013564
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC(=C4)Cl)Cl)N)C#N)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC27H22Cl2N6O4c139246515(716(24)13331420(123233)35(37)38)2521(1130)27(31)34(19917(28)818(29)1019)2232423(36)26(22)25h510121425H241331H21H3
MFCD02606043
N#CC1=C(N)N(c2cc(Cl)cc(c2)Cl)C2=C(C1c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)CCC2
ZINC000000659591
ZINC000000659593
Check stock
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