Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755541
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)Cl)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 C25H24ClN3OS MW 450.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3OS/c1-25(2)12-20-23(21(30)13-25)22(15-4-10-18(31-3)11-5-15)19(14-27)24(28)29(20)17-8-6-16(26)7-9-17/h4-11,22H,12-13,28H2,1-3H3InChIKey
XJEKSAJLLMOIBD-UHFFFAOYSA-NSynonyms
339336-69-52amino1(4chlorophenyl)77dimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLOROPHENYL)77DIMETHYL4(4METHYLSULFANYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
339336695
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C
InChI=1SC25H24ClN3OSc125(2)122023(21(30)1325)22(1541018(313)11515)19(1427)24(28)29(20)178616(26)7917h41122H121328H213H3
MFCD00828385
ZINC000002570315
ZINC000003663279
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