Vitas-M small molecule compound
2-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK780109
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1Cl)Cl
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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 C26H24Cl2N2O2S MW 499.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24Cl2N2O2S/c1-26(2)11-19-23(20(31)12-26)16(15-7-5-8-18(27)24(15)28)10-22(32)30(19)25-17(13-29)14-6-3-4-9-21(14)33-25/h5,7-8,16H,3-4,6,9-12H2,1-2H3InChIKey
DOBJQNBKAQFDHM-UHFFFAOYSA-NSynonyms
2(4(23dichlorophenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(23dichlorophenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCC4)C#N)C5=C(C(=CC=C5)Cl)Cl)C(=O)C1)C
InChI=1SC26H24Cl2N2O2Sc126(2)111923(20(31)1226)16(1575818(27)24(15)28)1022(32)30(19)2517(1329)14634921(14)3325h57816H346912H212H3
MFCD05859750
ZINC000012402375
ZINC000012402376
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