Vitas-M small molecule compound

2-tert-butyl-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK299835
SMILES O=C1c2cc(ccc2C(=O)N1C(C)(C)C)Oc1ccc(cc1)[N+](=O)[O-]

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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 C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-18(2,3)19-16(21)14-9-8-13(10-15(14)17(19)22)25-12-6-4-11(5-7-12)20(23)24/h4-10H,1-3H3
InChIKey
VLWOUTGRUVWSAP-UHFFFAOYSA-N
Synonyms

2tertbutyl5(4nitrophenoxy)1Hisoindole13(2H)dione
2TERTBUTYL5(4NITROPHENOXY)ISOINDOLE13DIONE
CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H16N2O5c118(23)1916(21)149813(1015(14)17(19)22)25126411(5712)20(23)24h410H13H3
MFCD01974802
O=C1c2cc(ccc2C(=O)N1C(C)(C)C)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000000302778
ZINC00302778
ZINC302778

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Available files

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