Vitas-M small molecule compound

di-tert-butyl chloro(3,5-dinitropyridin-2-yl)propanedioate

Catalog ID
STK772004
SMILES O=C(C(c1ncc(cc1[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC(C)(C)C)Cl)OC(C)(C)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 C16H20ClN3O8 MW 417.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN3O8/c1-14(2,3)27-12(21)16(17,13(22)28-15(4,5)6)11-10(20(25)26)7-9(8-18-11)19(23)24/h7-8H,1-6H3
InChIKey
UZWBKPJUMIQCOJ-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)C(C1=C(C=C(C=N1)(N+)(=O)(O))(N+)(=O)(O))(C(=O)OC(C)(C)C)Cl
DITERTBUTYL2CHLORO2(35DINITROPYRIDIN2YL)PROPANEDIOATE
ditertbutylchloro(35dinitropyridin2yl)propanedioate
InChI=1SC16H20ClN3O8c114(23)2712(21)16(1713(22)2815(45)6)1110(20(25)26)79(81811)19(23)24h78H16H3
MFCD03767940
O=C(C(c1ncc(cc1(N+)(=O)(O))(N+)(=O)(O))(C(=O)OC(C)(C)C)Cl)OC(C)(C)C
ZINC000003624498
ZINC03624498
ZINC3624498

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.