Vitas-M small molecule compound
N-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl}naphthalene-1-carboxamide
Catalog ID
STK053356
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=S)NC(=O)c1cccc2c1cccc2)(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 C26H27N3OS2 MW 461.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3OS2/c1-4-26(2,3)17-12-13-19-21(15-27)24(32-22(19)14-17)29-25(31)28-23(30)20-11-7-9-16-8-5-6-10-18(16)20/h5-11,17H,4,12-14H2,1-3H3,(H2,28,29,30,31)InChIKey
UCDWLEKSBZCMIH-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43
CCC(C1CCc2c(C1)sc(c2C#N)NC(=S)NC(=O)c1cccc2c1cccc2)(C)C
InChI=1SC26H27N3OS2c1426(23)1712131921(1527)24(3222(19)1417)2925(31)2823(30)201179168561018(16)20h51117H41214H213H3(H228293031)
MFCD03065359
N((3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamothioyl)naphthalene1carboxamide
STK053356
ZINC000009434886
ZINC000013943831
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