Vitas-M small molecule compound
3,5,5-trimethyl-8-methylidene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl 4-nitrobenzoate
Catalog ID
STK054167
SMILES O=C(c1ccc(cc1)[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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-13-5-10-17-14(2)11-19(21(3,4)12-18(13)17)26-20(23)15-6-8-16(9-7-15)22(24)25/h6-9,17,19H,2,5,10-12H2,1,3-4H3InChIKey
FIVVYCVIXJNZET-UHFFFAOYSA-NSynonyms
334504-66-4(355trimethyl8methylidene124678ahexahydroazulen6yl)4nitrobenzoate
334504664
355trimethyl8methylene12456788aoctahydroazulen6yl4nitrobenzoate
355trimethyl8methylidene12456788aoctahydroazulen6yl4nitrobenzoate
CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))(C)C
InChI=1SC21H25NO4c1135101714(2)1119(21(34)1218(13)17)2620(23)156816(9715)22(24)25h691719H251012H2134H3
MFCD01595328
O=C(c1ccc(cc1)(N+)(=O)(O))OC1CC(=C)C2C(=C(CC2)C)CC1(C)C
STK054167
ZINC000000849535
ZINC000000849538
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