Vitas-M small molecule compound
4-butoxy-2,3-dinitrophenyl (2E)-3-(4-butoxyphenyl)prop-2-enoate
Catalog ID
STK043020
SMILES CCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])OCCCC
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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 C23H26N2O8 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O8/c1-3-5-15-31-18-10-7-17(8-11-18)9-14-21(26)33-20-13-12-19(32-16-6-4-2)22(24(27)28)23(20)25(29)30/h7-14H,3-6,15-16H2,1-2H3/b14-9+InChIKey
BYOBVLZDCJVLCI-NTEUORMPSA-NSynonyms
(4BUTOXY23DINITROPHENYL)(E)3(4BUTOXYPHENYL)PROP2ENOATE
4BUTOXY23DINITROPHENYL(2E)3(4BUTOXYPHENYL)PROP2ENOATE
CCCCOC1=CC=C(C=C1)C=CC(=O)OC2=C(C(=C(C=C2)OCCCC)(N+)(=O)(O))(N+)(=O)(O)
CCCCOc1ccc(cc1)C=CC(=O)Oc1ccc(c(c1(N+)(=O)(O))(N+)(=O)(O))OCCCC
InChI=1SC23H26N2O8c13515311810717(81118)91421(26)3320131219(3216642)22(24(27)28)23(20)25(29)30h714H361516H212H3b149+
MFCD08050759
STK043020
ZINC000009425601
ZINC09425601
ZINC9425601
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