Vitas-M small molecule compound
2,6-dinitro-4-(octan-2-yl)phenyl (2E)-but-2-enoate
Catalog ID
STK761543
SMILES CCCCCCC(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC(=O)/C=C/C)C
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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 C18H24N2O6 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)14-11-15(19(22)23)18(16(12-14)20(24)25)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+InChIKey
YHVJMJFNSRLYIC-WEVVVXLNSA-NSynonyms
(26DINITRO4OCTAN2YLPHENYL)(E)BUT2ENOATE
26dinitro4(octan2yl)phenyl(2E)but2enoate
4(1METHYLHEPTYL)26DINITROPHENYLCROTONATE
4(METHYLHEPTYL)26DINITROPHENYL(2E)BUT2ENOATE
CCCCCCC(C)C1=CC(=C(C(=C1)(N+)(=O)(O))OC(=O)C=CC)(N+)(=O)(O)
CCCCCCC(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))OC(=O)C=CC)C
CROTONICACID26DINITRO4(1METHYLHEPTYL)PHENYLESTER
CROTONICACID4(1METHYLHEPTYL)26DINITROPHENYLESTER
InChI=1SC18H24N2O6c146781013(3)141115(19(22)23)18(16(1214)20(24)25)2617(21)952h591113H46810H213H3b95+
MFCD02110244
ZINC000003670049
ZINC000003670051
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