Vitas-M small molecule compound
17-(4-ethoxyphenyl)-1-nitro-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK728849
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1([N+](=O)[O-])c3c(C2c2c1cccc2)cccc3
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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 C26H20N2O5 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O5/c1-2-33-16-13-11-15(12-14-16)27-24(29)22-21-17-7-3-5-9-19(17)26(28(31)32,23(22)25(27)30)20-10-6-4-8-18(20)21/h3-14,21-23H,2H2,1H3InChIKey
DIRRWUSLDBXNFR-UHFFFAOYSA-NSynonyms
17(4ethoxyphenyl)1nitro17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCOC1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)(N+)(=O)(O)
CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1((N+)(=O)(O))c3c(C2c2c1cccc2)cccc3
InChI=1SC26H20N2O5c123316131115(121416)2724(29)222117735919(17)26(28(31)3223(22)25(27)30)201064818(20)21h3142123H2H21H3
MFCD01070492
ZINC000001062312
ZINC000001062317
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