Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683452
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C1c1cccnc1)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 C26H23ClN6OS2 MW 535.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN6OS2/c1-26(2)10-19-22(20(34)11-26)21(15-7-5-9-30-13-15)17(12-28)23(29)33(19)24-31-32-25(36-24)35-14-16-6-3-4-8-18(16)27/h3-9,13,21H,10-11,14,29H2,1-2H3InChIKey
FCIKWJDBBNTUIF-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)77dimethyl5oxo4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)77DIMETHYL5OXO4PYRIDIN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC26H23ClN6OS2c126(2)101922(20(34)1126)21(15759301315)17(1228)23(29)33(19)24313225(3624)351416634818(16)27h391321H10111429H212H3
MFCD05257877
ZINC000098006089
ZINC000098006090
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