Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758520
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2
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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 C25H24N4OS2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4OS2/c1-25(2)10-17-22(18(30)11-25)21(20-8-5-9-31-20)16(13-27)23(28)29(17)24-15(12-26)14-6-3-4-7-19(14)32-24/h5,8-9,21H,3-4,6-7,10-11,28H2,1-2H3InChIKey
RTOWTUBPCFBMSN-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo4thiophen2yl68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=CS5)C(=O)C1)C
InChI=1SC25H24N4OS2c125(2)101722(18(30)1125)21(208593120)16(1327)23(28)29(17)2415(1226)14634719(14)3224h58921H3467101128H212H3
MFCD01414962
ZINC000002188854
ZINC000002188855
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