Vitas-M small molecule compound

3-nitro-4-{[4-(propan-2-yl)benzyl]amino}-2H-chromen-2-one

Catalog ID
STK734368
SMILES [O-][N+](=O)c1c(=O)oc2c(c1NCc1ccc(cc1)C(C)C)cccc2

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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 C19H18N2O4 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4/c1-12(2)14-9-7-13(8-10-14)11-20-17-15-5-3-4-6-16(15)25-19(22)18(17)21(23)24/h3-10,12,20H,11H2,1-2H3
InChIKey
DMSLJFDRSFTHFP-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1c(=O)oc2c(c1NCc1ccc(cc1)C(C)C)cccc2
3nitro4((4(propan2yl)benzyl)amino)2Hchromen2one
3NITRO4((4PROPAN2YLPHENYL)METHYLAMINO)CHROMEN2ONE
4(((4(METHYLETHYL)PHENYL)METHYL)AMINO)3NITROCHROMEN2ONE
4((4ISOPROPYLBENZYL)AMINO)3NITRO2HCHROMEN2ONE
CC(C)C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)(N+)(=O)(O)
InChI=1SC19H18N2O4c112(2)149713(81014)11201715534616(15)2519(22)18(17)21(23)24h3101220H11H212H3
MFCD01418312
ZINC000013522615
ZINC13522615

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Available files

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