Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778463
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)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 C21H23N5OS3 MW 457.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS3/c1-11(2)29-20-25-24-19(30-20)26-14-7-21(3,4)8-15(27)17(14)16(12-5-6-28-10-12)13(9-22)18(26)23/h5-6,10-11,16H,7-8,23H2,1-4H3InChIKey
XWJRAQLYJOBDDG-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)4THIOPHEN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CC(C3)(C)C
InChI=1SC21H23N5OS3c111(2)2920252419(3020)2614721(34)815(27)17(14)16(1256281012)13(922)18(26)23h56101116H7823H214H3
MFCD05856668
ZINC000012401693
ZINC000012401694
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