Vitas-M small molecule compound
2-amino-4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK684961
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1ccc(o1)c1ccccc1Cl)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 C27H26ClN5O2S2 MW 552.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O2S2/c1-14(2)36-26-32-31-25(37-26)33-18-11-27(3,4)12-19(34)23(18)22(16(13-29)24(33)30)21-10-9-20(35-21)15-7-5-6-8-17(15)28/h5-10,14,22H,11-12,30H2,1-4H3InChIKey
SNARAFXYKMAPHJ-UHFFFAOYSA-NSynonyms
2amino4(5(2chlorophenyl)furan2yl)77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile2AMINO4(5(2CHLOROPHENYL)FURAN2YL)77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(O4)C5=CC=CC=C5Cl)C(=O)CC(C3)(C)C
Registry IDs
MFCD05856671ZINC000098007234
ZINC000098007235
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