Vitas-M small molecule compound
3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide
Catalog ID
STK808754
SMILES N#Cc1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC(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/c1-9(2)7-13(25)22-15(17(18,19)20)24-16(26)23-14-11(8-21)10-5-3-4-6-12(10)27-14/h9,15H,3-7H2,1-2H3,(H,22,25)(H2,23,24,26)InChIKey
ACCZQFYCWSMYTA-UHFFFAOYSA-NSynonyms
302941-07-7302941077
3methylN(222trichloro1(((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)amino)ethyl)butanamide
3methylN(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)carbamothioylamino)ethyl)butanamide
CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N
InChI=1SC17H21Cl3N4OS2c19(2)713(25)2215(17(1819)20)2416(26)231411(821)10534612(10)2714h915H37H212H3(H2225)(H2232426)
MFCD00548665
ZINC000008672770
ZINC000013482480
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