Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778489
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1sccc1C)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 C22H25N5OS3 MW 471.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5OS3/c1-11(2)30-21-26-25-20(31-21)27-14-8-22(4,5)9-15(28)17(14)16(13(10-23)19(27)24)18-12(3)6-7-29-18/h6-7,11,16H,8-9,24H2,1-5H3InChIKey
QCFQVGNIWZFJCX-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(3methylthiophen2yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(3METHYLTHIOPHEN2YL)5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SC(C)C)N)C#N
InChI=1SC22H25N5OS3c111(2)3021262520(3121)2714822(45)915(28)17(14)16(13(1023)19(27)24)1812(3)672918h671116H8924H215H3
MFCD05856700
ZINC000012463218
ZINC000012463219
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