Vitas-M small molecule compound
3,5,5-trimethyl-8-methylidene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl 3,5-dinitrobenzoate
Catalog ID
STL553586
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC1CC(=C)C2C(=C(CC2)C)CC1(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 C21H24N2O6 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O6/c1-12-5-6-17-13(2)7-19(21(3,4)11-18(12)17)29-20(24)14-8-15(22(25)26)10-16(9-14)23(27)28/h8-10,17,19H,2,5-7,11H2,1,3-4H3InChIKey
QXZCBRHBEXEZSO-UHFFFAOYSA-NSynonyms
334504-67-5(355trimethyl8methylidene124678~(a)hexahydroazulen6yl)35dinitrobenzoate
3125189
334504675
355trimethyl8methylene12456788aoctahydroazulen6yl35dinitrobenzoate
355trimethyl8methylidene12456788aoctahydroazulen6yl35dinitrobenzoate
InChI=1SC21H24N2O6c112561713(2)719(21(34)1118(12)17)2920(24)14815(22(25)26)1016(914)23(27)28h8101719H25711H2134H3
MFCD01595329
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))OC1CC(=C)C2C(=C(CC2)C)CC1(C)C
ZINC000002150827
ZINC000002150832
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