Vitas-M small molecule compound
1-acetyl-17-(4-methyl-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
STK279110
SMILES Cc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(C(=O)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 C27H20N2O5 MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O5/c1-14-11-12-20(21(13-14)29(33)34)28-25(31)23-22-16-7-3-5-9-18(16)27(15(2)30,24(23)26(28)32)19-10-6-4-8-17(19)22/h3-13,22-24H,1-2H3InChIKey
XSLOCHLKEJRUTB-UHFFFAOYSA-NSynonyms
1acetyl17(4methyl2nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC(=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C(=O)C)(N+)(=O)(O)
Cc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C(=O)C)c3c(C2c2c1cccc2)cccc3
InChI=1SC27H20N2O5c114111220(21(1314)29(33)34)2825(31)232216735918(16)27(15(2)3024(23)26(28)32)191064817(19)22h3132224H12H3
MFCD01802314
ZINC000009096094
ZINC000009096097
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