Vitas-M small molecule compound
2-amino-4-[5-(3-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
STK684960
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1ccc(o1)c1cccc(c1)Cl)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(17(13-29)24(33)30)21-9-8-20(35-21)15-6-5-7-16(28)10-15/h5-10,14,22H,11-12,30H2,1-4H3InChIKey
RLUKKSFFPPOUPL-UHFFFAOYSA-NSynonyms
2amino4(5(3chlorophenyl)furan2yl)77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO4(5(3CHLOROPHENYL)FURAN2YL)77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(O4)C5=CC(=CC=C5)Cl)C(=O)CC(C3)(C)C
InChI=1SC27H26ClN5O2S2c114(2)3626323125(3726)33181127(34)1219(34)23(18)22(17(1329)24(33)30)219820(3521)1565716(28)1015h5101422H111230H214H3
MFCD05856670
ZINC000098007232
ZINC000098007233
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