Vitas-M small molecule compound
17-(4,5-dimethyl-2-nitrophenyl)-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
STL388146
SMILES O=C1N(C(=O)C2C1C1c3ccccc3C2c2c1cccc2)c1cc(C)c(cc1[N+](=O)[O-])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 C26H20N2O4 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4/c1-13-11-19(20(28(31)32)12-14(13)2)27-25(29)23-21-15-7-3-4-8-16(15)22(24(23)26(27)30)18-10-6-5-9-17(18)21/h3-12,21-24H,1-2H3InChIKey
RFWMRHMWILQRIA-UHFFFAOYSA-NSynonyms
17(45dimethyl2nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC(=C(C=C1C)(N+)(=O)(O))N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC26H20N2O4c1131119(20(28(31)32)1214(13)2)2725(29)232115734816(15)22(24(23)26(27)30)181065917(18)21h3122124H12H3
MFCD03142622
O=C1N(C(=O)C2C1C1c3ccccc3C2c2c1cccc2)c1cc(C)c(cc1(N+)(=O)(O))C
ZINC000016268006
ZINC000016268012
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