Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-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
STK685036
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1nnc(s1)SC(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 C21H22BrN5OS3 MW 536.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5OS3/c1-10(2)30-20-26-25-19(31-20)27-13-6-21(3,4)7-14(28)17(13)16(12(8-23)18(27)24)15-5-11(22)9-29-15/h5,9-10,16H,6-7,24H2,1-4H3InChIKey
LBZOIQBKSGRHRM-UHFFFAOYSA-NSynonyms
2amino4(4bromothiophen2yl)77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOTHIOPHEN2YL)77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CC(C3)(C)C
InChI=1SC21H22BrN5OS3c110(2)3020262519(3120)2713621(34)714(28)17(13)16(12(823)18(27)24)15511(22)92915h591016H6724H214H3
MFCD05856989
ZINC000098007264
ZINC000098007265
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