Vitas-M small molecule compound
(4a,6a-dimethyltetrahydro-2H-1,4-dioxa-6b-azacyclopenta[cd]pentalen-2a(3H)-yl)methyl 4-nitrobenzoate
Catalog ID
STK724592
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC12COC3(N2C(OC1)(C)CC3)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 C17H20N2O6 MW 348.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O6/c1-15-7-8-16(2)19(15)17(10-24-15,11-25-16)9-23-14(20)12-3-5-13(6-4-12)18(21)22/h3-6H,7-11H2,1-2H3InChIKey
INUNALBSOMANMB-UHFFFAOYSA-NSynonyms
727421-70-7((4AR6AS)4A6ADIMETHYLTETRAHYDRO2H14DIOXA6BAZACYCLOPENTA(CD)PENTALEN2A(3H)YL)METHYL4NITROBENZOATE
((4AS6AS)4A6ADIMETHYLTETRAHYDRO2H14DIOXA6BAZACYCLOPENTA(CD)PENTALEN2A(3H)YL)METHYL4NITROBENZOATE
(4a6adimethylhexahydro2H14dioxa2a1azacyclopenta(cd)pentalen2ayl)methyl4nitrobenzoate
(4a6adimethyltetrahydro2H14dioxa6bazacyclopenta(cd)pentalen2a(3H)yl)methyl4nitrobenzoate
727421707
CC12CCC3(N1C(CO2)(CO3)COC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC17H20N2O6c1157816(2)19(15)17(102415112516)92314(20)123513(6412)18(21)22h36H711H212H3
MFCD05859189
O=C(c1ccc(cc1)(N+)(=O)(O))OCC12COC3(N2C(OC1)(C)CC3)C
ZINC000020226832
ZINC000245241541
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