Vitas-M small molecule compound

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

Catalog ID
STK103506
SMILES Brc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(OC2(C)C=C1)C

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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)9-4-3-8(17)7-10(9)19(22)23/h3-7,11-12H,1-2H3
InChIKey
GPYKERXVRPIYND-UHFFFAOYSA-N
Synonyms

2(4BROMO2NITROPHENYL)47DIMETHYL3A477ATETRAHYDRO1H47EPOXYISOINDOLE13(2H)DIONE
2(4bromo2nitrophenyl)47dimethyl3a7adihydrooctahydro1H47epoxyisoindole13dione
Brc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(OC2(C)C=C1)C
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)Br)(N+)(=O)(O))C
InChI=1SC16H13BrN2O5c1155616(22415)1211(15)13(20)18(14(12)21)9438(17)710(9)19(22)23h371112H12H3
MFCD00292473
ZINC000012463790
ZINC000101356272

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Available files

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