Vitas-M small molecule compound
1-{(E)-[(3-chloro-2-methylphenyl)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
STK663414
SMILES Clc1cccc(c1C)/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 C32H22ClN3O4 MW 548.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22ClN3O4/c1-18-23(33)13-8-14-24(18)34-17-32-21-11-4-2-9-19(21)27(20-10-3-5-12-22(20)32)28-29(32)31(38)35(30(28)37)25-15-6-7-16-26(25)36(39)40/h2-17,27-29H,1H3/b34-17+InChIKey
RGHLGWFSAQHTCE-KVAAJVFYSA-NSynonyms
1((E)((3chloro2methylphenyl)imino)methyl)17(2nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)Clc1cccc(c1C)N=CC12C3C(C(=O)N(C3=O)c3ccccc3(N+)(=O)(O))C(c3c1cccc3)c1c2cccc1
Registry IDs
MFCD01113503ZINC000100056753
ZINC000100056763
Check stock
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Check stock on Vitas-MAvailable files
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