Vitas-M small molecule compound

2-(2,6-dichloro-3-methoxy-4-nitrophenyl)pentanoic acid

Catalog ID
STL406268
SMILES CCCC(c1c(Cl)cc(c(c1Cl)OC)[N+](=O)[O-])C(=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 C12H13Cl2NO5 MW 322.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13Cl2NO5/c1-3-4-6(12(16)17)9-7(13)5-8(15(18)19)11(20-2)10(9)14/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKey
WASVQVIJTOOCFD-UHFFFAOYSA-N
Synonyms

2(26dichloro3methoxy4nitrophenyl)pentanoicacid
CCCC(C1=C(C=C(C(=C1Cl)OC)(N+)(=O)(O))Cl)C(=O)O
CCCC(c1c(Cl)cc(c(c1Cl)OC)(N+)(=O)(O))C(=O)O
InChI=1SC12H13Cl2NO5c1346(12(16)17)97(13)58(15(18)19)11(202)10(9)14h56H34H212H3(H1617)
MFCD03158673
ZINC000000116116
ZINC000000116119

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Available files

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