Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK776130
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C1c1ccccc1C)C(=O)CCC2
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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 C26H22ClN5OS2 MW 520.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5OS2/c1-15-7-2-4-9-17(15)22-18(13-28)24(29)32(20-11-6-12-21(33)23(20)22)25-30-31-26(35-25)34-14-16-8-3-5-10-19(16)27/h2-5,7-10,22H,6,11-12,14,29H2,1H3InChIKey
NGYNHHHATQSLFB-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(2methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)4(2methylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC5=CC=CC=C5Cl)N)C#N
InChI=1SC26H22ClN5OS2c115724917(15)2218(1328)24(29)32(201161221(33)23(20)22)25303126(3525)3414168351019(16)27h2571022H611121429H21H3
MFCD05258537
ZINC000012463036
ZINC000012463037
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