Vitas-M small molecule compound

2-(2-bromo-4-nitrophenyl)-4,7-dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

Catalog ID
STK102798
SMILES O=C1N(C(=O)C2C1C1(C)C=CC2(O1)C)c1ccc(cc1Br)[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 C16H13BrN2O5 MW 393.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O5/c1-15-5-6-16(2,24-15)12-11(15)13(20)18(14(12)21)10-4-3-8(19(22)23)7-9(10)17/h3-7,11-12H,1-2H3
InChIKey
CMMXSEOCUPJBKC-UHFFFAOYSA-N
Synonyms

2(2BROMO4NITROPHENYL)47DIMETHYL3A477ATETRAHYDRO1H47EPOXYISOINDOLE13(2H)DIONE
2(2bromo4nitrophenyl)47dimethyl3a7adihydrooctahydro1H47epoxyisoindole13dione
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)(N+)(=O)(O))Br)C
InChI=1SC16H13BrN2O5c1155616(22415)1211(15)13(20)18(14(12)21)10438(19(22)23)79(10)17h371112H12H3
MFCD02272727
O=C1N(C(=O)C2C1C1(C)C=CC2(O1)C)c1ccc(cc1Br)(N+)(=O)(O)
ZINC000012463423
ZINC000101359596

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Available files

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