Vitas-M small molecule compound
2-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL295148
SMILES N#Cc1c2CCCCc2sc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=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 C21H12N4O6S MW 448.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N4O6S/c22-9-16-13-3-1-2-4-17(13)32-21(16)23-19(26)14-7-11(24(28)29)5-10-6-12(25(30)31)8-15(18(10)14)20(23)27/h5-8H,1-4H2InChIKey
FTGHLSVCTPELQP-UHFFFAOYSA-NSynonyms
2(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(58dinitro13dioxobenzo(de)isoquinolin2yl)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)(N+)(=O)(O))(N+)(=O)(O))C#N
InChI=1SC21H12N4O6Sc2291613312417(13)3221(16)2319(26)14711(24(28)29)510612(25(30)31)815(18(10)14)20(23)27h58H14H2
MFCD28032896
N#Cc1c2CCCCc2sc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
ZINC000095470928
ZINC95470928
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