Vitas-M small molecule compound
4-butoxy-2,3-dinitrophenyl 4-(heptyloxy)benzoate
Catalog ID
STK012974
SMILES CCCCCCCOc1ccc(cc1)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 C24H30N2O8 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O8/c1-3-5-7-8-9-17-32-19-12-10-18(11-13-19)24(27)34-21-15-14-20(33-16-6-4-2)22(25(28)29)23(21)26(30)31/h10-15H,3-9,16-17H2,1-2H3InChIKey
SRZJRHZZHRTZLK-UHFFFAOYSA-NSynonyms
(4BUTOXY23DINITROPHENYL)4HEPTOXYBENZOATE
4BUTOXY23DINITROPHENYL4(HEPTYLOXY)BENZOATE
CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)(N+)(=O)(O))(N+)(=O)(O)
CCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(c(c1(N+)(=O)(O))(N+)(=O)(O))OCCCC
InChI=1SC24H30N2O8c135789173219121018(111319)24(27)3421151420(3316642)22(25(28)29)23(21)26(30)31h1015H391617H212H3
MFCD01246486
STK012974
ZINC000100505067
ZINC100505067
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