Vitas-M small molecule compound

2-(2-methylphenyl)-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK368981
SMILES O=C1c2cc(ccc2C(=O)N1c1ccccc1C)Oc1cccc(c1)[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 C21H14N2O5 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O5/c1-13-5-2-3-8-19(13)22-20(24)17-10-9-16(12-18(17)21(22)25)28-15-7-4-6-14(11-15)23(26)27/h2-12H,1H3
InChIKey
MTUHDPCIBDYLDW-UHFFFAOYSA-N
Synonyms

2(2methylphenyl)5(3nitrophenoxy)1Hisoindole13(2H)dione
2(2METHYLPHENYL)5(3NITROPHENOXY)BENZO(C)AZOLIDINE13DIONE
2(2METHYLPHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)(N+)(=O)(O)
InChI=1SC21H14N2O5c113523819(13)2220(24)1710916(1218(17)21(22)25)281574614(1115)23(26)27h212H1H3
MFCD00349555
O=C1c2cc(ccc2C(=O)N1c1ccccc1C)Oc1cccc(c1)(N+)(=O)(O)
ZINC000004017251
ZINC04017251
ZINC4017251

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Available files

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