Vitas-M small molecule compound
(8Z)-3-ethoxy-2-nitro-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Catalog ID
STK770286
SMILES CCOc1ccc2c(c1[N+](=O)[O-])/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/N2
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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 C12H8Cl3N3O5 MW 380.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8Cl3N3O5/c1-2-23-6-4-3-5-7(10(6)17(19)20)9(16-5)11(18(21)22)8(13)12(14)15/h3-4,16H,2H2,1H3/b11-9-InChIKey
PZZKSRRVUISBRV-LUAWRHEFSA-NSynonyms
(7Z)4ETHOXY5NITRO7(233TRICHLORO1NITROPROP2ENYLIDENE)8AZABICYCLO(420)OCTA1(6)24TRIENE
(8Z)3ethoxy2nitro8(233trichloro1nitroprop2en1ylidene)7azabicyclo(420)octa135triene
4ETHOXY3NITRO2(1NITRO23TRICHLORO2PROPENYLIDENE)BENZAZETINE
CCOC1=C(C2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)(N+)(=O)(O))(N+)(=O)(O)
CCOc1ccc2c(c1(N+)(=O)(O))C(=C(C(=C(Cl)Cl)Cl)(N+)(=O)(O))N2
InChI=1SC12H8Cl3N3O5c122364357(10(6)17(19)20)9(165)11(18(21)22)8(13)12(14)15h3416H2H21H3b119
MFCD03765958
ZINC000004594565
ZINC04594565
ZINC4594565
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