Vitas-M small molecule compound
2,2-dimethyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide
Catalog ID
STK862100
SMILES N#Cc1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C)sc2c1CCCC2
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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 C17H21Cl3N4OS2 MW 467.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21Cl3N4OS2/c1-16(2,3)14(25)23-13(17(18,19)20)24-15(26)22-12-10(8-21)9-6-4-5-7-11(9)27-12/h13H,4-7H2,1-3H3,(H,23,25)(H2,22,24,26)InChIKey
OTRUBPKKJPADQT-UHFFFAOYSA-NSynonyms
22dimethylN(222trichloro1(((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)amino)ethyl)propanamide
22dimethylN(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)carbamothioylamino)ethyl)propanamide
CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N
InChI=1SC17H21Cl3N4OS2c116(23)14(25)2313(17(1819)20)2415(26)221210(821)9645711(9)2712h13H47H213H3(H2325)(H2222426)
MFCD00548679
ZINC000013482487
ZINC000013482490
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