Vitas-M small molecule compound
2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK886089
SMILES N#CC1=C(SCC(=O)c2ccc(c(c2)Cl)Cl)NC2=C(C1c1cccnc1)C(=O)CC(C2)(C)C
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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 C25H21Cl2N3O2S MW 498.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O2S/c1-25(2)9-19-23(20(31)10-25)22(15-4-3-7-29-12-15)16(11-28)24(30-19)33-13-21(32)14-5-6-17(26)18(27)8-14/h3-8,12,22,30H,9-10,13H2,1-2H3InChIKey
IZMWYDDENJYOOW-UHFFFAOYSA-NSynonyms
2((2(34dichlorophenyl)2oxoethyl)sulfanyl)77dimethyl5oxo4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2(2(34dichlorophenyl)2oxoethyl)sulfanyl77dimethyl5oxo4pyridin3yl1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N)C4=CN=CC=C4)C(=O)C1)C
InChI=1SC25H21Cl2N3O2Sc125(2)91923(20(31)1025)22(15437291215)16(1128)24(3019)331321(32)145617(26)18(27)814h38122230H91013H212H3
MFCD04635947
ZINC000009630495
ZINC000009631496
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