Vitas-M small molecule compound
2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK959629
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])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 C20H22N4O6S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O6S/c1-3-4-11-5-6-13-16(7-11)31-20(17(13)18(21)25)22-19(26)12-8-14(23(27)28)10(2)15(9-12)24(29)30/h8-9,11H,3-7H2,1-2H3,(H2,21,25)(H,22,26)InChIKey
BUOBZGCBJIKLGO-UHFFFAOYSA-NSynonyms
444924-78-12(((4methyl35dinitrophenyl)carbonyl)amino)6propyl4567tetrahydro1benzothiophene3carboxamide
2((4methyl35dinitrobenzoyl)amino)6propyl4567tetrahydro1benzothiophene3carboxamide
444924781
CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))C)(N+)(=O)(O)
CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
InChI=1SC20H22N4O6Sc13411561316(711)3120(17(13)18(21)25)2219(26)12814(23(27)28)10(2)15(912)24(29)30h8911H37H212H3(H22125)(H2226)
MFCD02372325
ZINC000002089599
ZINC000002089600
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