Vitas-M small molecule compound
3-tert-butyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl 3-nitrobenzoate
Catalog ID
STK744697
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1cc2c(cc1C(C)(C)C)oc1c2CCCC1
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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 C23H23NO5 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5/c1-23(2,3)18-13-20-17(16-9-4-5-10-19(16)28-20)12-21(18)29-22(25)14-7-6-8-15(11-14)24(26)27/h6-8,11-13H,4-5,9-10H2,1-3H3InChIKey
MBRCJTRCCBBYQN-UHFFFAOYSA-NSynonyms
328104-98-9(3tertbutyl6789tetrahydrodibenzofuran2yl)3nitrobenzoate
3(tertbutyl)6789tetrahydrodibenzo(bd)furan2yl3nitrobenzoate
328104989
3tertbutyl6789tetrahydrodibenzo(bd)furan2yl3nitrobenzoate
CC(C)(C)C1=C(C=C2C3=C(CCCC3)OC2=C1)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H23NO5c123(23)18132017(169451019(16)2820)1221(18)2922(25)1476815(1114)24(26)27h681113H45910H213H3
MFCD01949574
O=C(c1cccc(c1)(N+)(=O)(O))Oc1cc2c(cc1C(C)(C)C)oc1c2CCCC1
ZINC000002282178
ZINC02282178
ZINC2282178
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