Vitas-M small molecule compound
1-acetyl-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
STK279115
SMILES [O-][N+](=O)c1cc(ccc1C)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/c1-14-11-12-16(13-21(14)29(33)34)28-25(31)23-22-17-7-3-5-9-19(17)27(15(2)30,24(23)26(28)32)20-10-6-4-8-18(20)22/h3-13,22-24H,1-2H3InChIKey
WINGZDDIXIUBGN-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1C)N1C(=O)C2C(C1=O)C1(C(=O)C)c3c(C2c2c1cccc2)cccc3
1acetyl17(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(=O)C)(N+)(=O)(O)
InChI=1SC27H20N2O5c114111216(1321(14)29(33)34)2825(31)232217735919(17)27(15(2)3024(23)26(28)32)201064818(20)22h3132224H12H3
MFCD01802300
ZINC000001187643
ZINC000001187649
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