Vitas-M small molecule compound
17-{[(E)-(4-methyl-3-nitrophenyl)methylidene]amino}-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
STL369526
SMILES O=C1N(/N=C/c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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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 C26H19N3O4 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O4/c1-14-10-11-15(12-20(14)29(32)33)13-27-28-25(30)23-21-16-6-2-3-7-17(16)22(24(23)26(28)31)19-9-5-4-8-18(19)21/h2-13,21-24H,1H3/b27-13+InChIKey
PLNXGAUVZFFSJP-UVHMKAGCSA-NSynonyms
17(((E)(4methyl3nitrophenyl)methylidene)amino)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C=C(C=C1)C=NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)(N+)(=O)(O)
InChI=1SC26H19N3O4c114101115(1220(14)29(32)33)13272825(30)232116623717(16)22(24(23)26(28)31)19954818(19)21h2132124H1H3b2713+
MFCD03715224
O=C1N(N=Cc2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
ZINC000016225403
ZINC000017780343
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