Vitas-M small molecule compound
2-amino-1-(3-chloro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761696
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(c(c1)Cl)C)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 C24H22ClN3OS MW 435.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3OS/c1-14-6-9-16(12-19(14)25)28-20-4-3-5-21(29)23(20)22(18(13-26)24(28)27)15-7-10-17(30-2)11-8-15/h6-12,22H,3-5,27H2,1-2H3InChIKey
KGFNSKNEGZQLKB-UHFFFAOYSA-NSynonyms
2amino1(3chloro4methylphenyl)4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chloro4methylphenyl)4(4methylsulfanylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)SC)C(=O)CCC3)Cl
InChI=1SC24H22ClN3OSc1146916(1219(14)25)282043521(29)23(20)22(18(1326)24(28)27)1571017(302)11815h61222H3527H212H3
MFCD01925866
ZINC000000707160
ZINC000000707161
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