Vitas-M small molecule compound
4-bromo-N-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl}benzamide
Catalog ID
STK060711
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=S)NC(=O)c1ccc(cc1)Br)(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 C22H24BrN3OS2 MW 490.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN3OS2/c1-4-22(2,3)14-7-10-16-17(12-24)20(29-18(16)11-14)26-21(28)25-19(27)13-5-8-15(23)9-6-13/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H2,25,26,27,28)InChIKey
GTGHUKBGPZFASE-UHFFFAOYSA-NSynonyms
4bromoN((3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamothioyl)benzamide
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=C(C=C3)Br
CCC(C1CCc2c(C1)sc(c2C#N)NC(=S)NC(=O)c1ccc(cc1)Br)(C)C
InChI=1SC22H24BrN3OS2c1422(23)147101617(1224)20(2918(16)1114)2621(28)2519(27)135815(23)9613h568914H471011H213H3(H225262728)
MFCD03063636
STK060711
ZINC000009553509
ZINC000009553510
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