Vitas-M small molecule compound
5-ethoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
Catalog ID
STK198947
SMILES [O-][N+](=O)/C=C/c1cc2OCOc2cc1OCC
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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 C11H11NO5 MW 237.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11NO5/c1-2-15-9-6-11-10(16-7-17-11)5-8(9)3-4-12(13)14/h3-6H,2,7H2,1H3/b4-3+InChIKey
HALSKFIBUKYWPL-ONEGZZNKSA-NSynonyms
(O)(N+)(=O)C=Cc1cc2OCOc2cc1OCC
5((1E)2NITROVINYL)6ETHOXY2HBENZO(D)13DIOXOLENE
5ETHOXY6((E)2NITROETHENYL)13BENZODIOXOLE
5ETHOXY6(2NITROVINYL)13BENZODIOXOLE
5ETHOXY6(2NITROVINYL)BENZO(13)DIOXOLE
CCOC1=CC2=C(C=C1C=C(N+)(=O)(O))OCO2
InChI=1SC11H11NO5c1215961110(1671711)58(9)3412(13)14h36H27H21H3b43+
MFCD03865155
ZINC000000368244
ZINC00368244
ZINC368244
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