Vitas-M small molecule compound

3-benzyl-7-{[(2Z)-2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methylphenyl)ethyl]oxy}-4-methyl-2H-chromen-2-one

Catalog ID
STK373809
SMILES Cc1ccc(cc1)/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1

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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 C32H26N4O7 MW 578.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O7/c1-20-8-10-23(11-9-20)29(34-33-28-15-12-24(35(38)39)17-30(28)36(40)41)19-42-25-13-14-26-21(2)27(32(37)43-31(26)18-25)16-22-6-4-3-5-7-22/h3-15,17-18,33H,16,19H2,1-2H3/b34-29+
InChIKey
SWMMUEYWRBYXCI-RIHQVDFKSA-N
Synonyms

3benzyl7(((2Z)2(2(24dinitrophenyl)hydrazinylidene)2(4methylphenyl)ethyl)oxy)4methyl2Hchromen2one
3benzyl7((2Z)2((24dinitrophenyl)hydrazinylidene)2(4methylphenyl)ethoxy)4methylchromen2one
7((2Z)3((24DINITROPHENYL)AMINO)2(4METHYLPHENYL)3AZAPROP2ENYLOXY)4METHYL3BENZYLCHROMEN2ONE
CC1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))COC3=CC4=C(C=C3)C(=C(C(=O)O4)CC5=CC=CC=C5)C
Cc1ccc(cc1)C(=NNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
InChI=1SC32H26N4O7c12081023(11920)29(343328151224(35(38)39)1730(28)36(40)41)19422513142621(2)27(32(37)4331(26)1825)16226435722h315171833H1619H212H3b3429+
MFCD01106725
ZINC000004109535
ZINC102118032

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Available files

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