Vitas-M small molecule compound

1-{(E)-[(2,3-dichlorophenyl)imino]methyl}-17-(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
STK673436
SMILES Clc1cccc(c1Cl)/N=C/C12C3C(C(=O)N(C3=O)c3ccccc3[N+](=O)[O-])C(c3c1cccc3)c1c2cccc1

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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 C31H19Cl2N3O4 MW 568.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H19Cl2N3O4/c32-21-12-7-13-22(28(21)33)34-16-31-19-10-3-1-8-17(19)25(18-9-2-4-11-20(18)31)26-27(31)30(38)35(29(26)37)23-14-5-6-15-24(23)36(39)40/h1-16,25-27H/b34-16+
InChIKey
XCIMKPQIABOVKQ-AABVJFSESA-N
Synonyms

1((E)((23dichlorophenyl)imino)methyl)17(2nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
Clc1cccc(c1Cl)N=CC12C3C(C(=O)N(C3=O)c3ccccc3(N+)(=O)(O))C(c3c1cccc3)c1c2cccc1
MFCD01230500
ZINC000033355218
ZINC000033355222

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Available files

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