Vitas-M small molecule compound
1-methyl-17-(4-methyl-3-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
STL495484
SMILES [O-][N+](=O)c1cc(ccc1C)N1C(=O)C2C(C1=O)C1(C)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 C26H20N2O4 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4/c1-14-11-12-15(13-20(14)28(31)32)27-24(29)22-21-16-7-3-5-9-18(16)26(2,23(22)25(27)30)19-10-6-4-8-17(19)21/h3-13,21-23H,1-2H3InChIKey
QRSXZSAPTKDIQA-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1C)N1C(=O)C2C(C1=O)C1(C)c3c(C2c2c1cccc2)cccc3
1methyl17(4methyl3nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C)(N+)(=O)(O)
InChI=1SC26H20N2O4c114111215(1320(14)28(31)32)2724(29)222116735918(16)26(223(22)25(27)30)191064817(19)21h3132123H12H3
MFCD01170964
ZINC000000835820
ZINC000000835827
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