Vitas-M small molecule compound
4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL323935
SMILES N#Cc1c(=S)[nH]c2c(c1c1ccc(cc1)N(C)C)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 C20H21N3OS MW 351.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3OS/c1-20(2)9-15-18(16(24)10-20)17(14(11-21)19(25)22-15)12-5-7-13(8-6-12)23(3)4/h5-8H,9-10H2,1-4H3,(H,22,25)InChIKey
LFVHLFVZWXEORI-UHFFFAOYSA-NSynonyms
303101-84-0303101840
4(4(dimethylamino)phenyl)77dimethyl5oxo2sulfanylidene68dihydro1Hquinoline3carbonitrile
4(4(dimethylamino)phenyl)77dimethyl5oxo2thioxo125678hexahydroquinoline3carbonitrile
4(4DIMETHYLAMINOPHENYL)77DIMETHYL5OXO2SULFANYLIDENE68DIHYDRO1HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)N(C)C)C
InChI=1SC20H21N3OSc120(2)91518(16(24)1020)17(14(1121)19(25)2215)125713(8612)23(3)4h58H910H214H3(H2225)
MFCD00586411
N#Cc1c(=S)(nH)c2c(c1c1ccc(cc1)N(C)C)C(=O)CC(C2)(C)C
ZINC000000755664
ZINC755664
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