Vitas-M small molecule compound
6-(2-methylbutan-2-yl)-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK959674
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)(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 C22H26N4O6S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O6S/c1-5-22(3,4)13-6-7-14-17(10-13)33-21(18(14)19(23)27)24-20(28)12-8-15(25(29)30)11(2)16(9-12)26(31)32/h8-9,13H,5-7,10H2,1-4H3,(H2,23,27)(H,24,28)InChIKey
PTRZIEGDHCXEQB-UHFFFAOYSA-NSynonyms
444925-58-0444925580
6(2methylbutan2yl)2(((4methyl35dinitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
6(2methylbutan2yl)2((4methyl35dinitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))C)(N+)(=O)(O)
CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)(C)C
InChI=1SC22H26N4O6Sc1522(34)13671417(1013)3321(18(14)19(23)27)2420(28)12815(25(29)30)11(2)16(912)26(31)32h8913H5710H214H3(H22327)(H2428)
MFCD02372404
ZINC000002089685
ZINC000002089686
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