Vitas-M small molecule compound
17-(4-methoxy-2-nitrophenyl)-1,8-dimethyl-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
STK258075
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(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 C27H22N2O5 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5/c1-26-16-8-4-6-10-18(16)27(2,19-11-7-5-9-17(19)26)23-22(26)24(30)28(25(23)31)20-13-12-15(34-3)14-21(20)29(32)33/h4-14,22-23H,1-3H3InChIKey
YAGTXTCJHDSYLG-UHFFFAOYSA-NSynonyms
17(4methoxy2nitrophenyl)18dimethyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC12C3C(C(=O)N(C3=O)C4=C(C=C(C=C4)OC)(N+)(=O)(O))C(C5=CC=CC=C51)(C6=CC=CC=C26)C
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)c2c1cccc2)cccc3
InChI=1SC27H22N2O5c126168461018(16)27(2191175917(19)26)2322(26)24(30)28(25(23)31)20131215(343)1421(20)29(32)33h4142223H13H3
MFCD00750678
ZINC000009425882
ZINC000018118512
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