Vitas-M small molecule compound

2-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK368985
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)c2c(C1=O)ccc(c2)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 C21H13N3O8 MW 435.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O8/c1-31-13-6-8-18(19(11-13)24(29)30)22-20(25)16-7-5-15(10-17(16)21(22)26)32-14-4-2-3-12(9-14)23(27)28/h2-11H,1H3
InChIKey
ARGNWYJQPIYFHM-UHFFFAOYSA-N
Synonyms

2(4methoxy2nitrophenyl)5(3nitrophenoxy)1Hisoindole13(2H)dione
2(4METHOXY2NITROPHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
COC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)(N+)(=O)(O)
InChI=1SC21H13N3O8c131136818(19(1113)24(29)30)2220(25)167515(1017(16)21(22)26)321442312(914)23(27)28h211H1H3
MFCD00331270
ZINC000004017255
ZINC04017255
ZINC4017255

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Available files

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