Vitas-M small molecule compound
1,8-dimethyl-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
STK258053
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1(C)c3c(C2(C)c2c1cccc2)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 C27H22N2O4 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4/c1-15-12-13-16(14-21(15)29(32)33)28-24(30)22-23(25(28)31)27(3)19-10-6-4-8-17(19)26(22,2)18-9-5-7-11-20(18)27/h4-14,22-23H,1-3H3InChIKey
MCNWONKSIUGNBT-UHFFFAOYSA-NSynonyms
18dimethyl17(4methyl3nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C)(N+)(=O)(O)
InChI=1SC27H22N2O4c115121316(1421(15)29(32)33)2824(30)2223(25(28)31)27(3)191064817(19)26(222)189571120(18)27h4142223H13H3
MFCD00750679
O=C1N(c2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1(C)c3c(C2(C)c2c1cccc2)cccc3
ZINC000000726718
ZINC000018283151
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