Vitas-M small molecule compound
5-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-nitrobenzamide
Catalog ID
STK420649
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])(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 C21H22ClN3O3S MW 431.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O3S/c1-4-21(2,3)12-5-7-14-16(11-23)20(29-18(14)9-12)24-19(26)15-10-13(22)6-8-17(15)25(27)28/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,24,26)InChIKey
VQPVWWRIJNKDHO-UHFFFAOYSA-NSynonyms
438455-93-7438455937
5chloroN(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)2nitrobenzamide
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O))(C)C
InChI=1SC21H22ClN3O3Sc1421(23)12571416(1123)20(2918(14)912)2419(26)151013(22)6817(15)25(27)28h681012H4579H213H3(H2426)
MFCD02054157
ZINC000002086279
ZINC000002086280
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