Vitas-M small molecule compound
(2Z)-2-(2-hydroxy-3,5-dinitrobenzylidene)-1-benzothiophen-3(2H)-one
Catalog ID
STK669113
SMILES [O-][N+](=O)c1cc(/C=C/2\Sc3c(C2=O)cccc3)c(c(c1)[N+](=O)[O-])O
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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 C15H8N2O6S MW 344.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H8N2O6S/c18-14-8(5-9(16(20)21)7-11(14)17(22)23)6-13-15(19)10-3-1-2-4-12(10)24-13/h1-7,18H/b13-6-InChIKey
XWMTZTCOGLBDPZ-MLPAPPSSSA-NSynonyms
(2Z)2((2HYDROXY35DINITROPHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2Z)2(2hydroxy35dinitrobenzylidene)1benzothiophen3(2H)one
(O)(N+)(=O)c1cc(C=C2Sc3c(C2=O)cccc3)c(c(c1)(N+)(=O)(O))O
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC(=C3O)(N+)(=O)(O))(N+)(=O)(O))S2
InChI=1SC15H8N2O6Sc18148(59(16(20)21)711(14)17(22)23)61315(19)10312412(10)2413h1718Hb136
MFCD00501827
ZINC000003017090
ZINC3017090
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