Vitas-M small molecule compound

3,3'-[2-(3-nitrophenyl)propane-1,3-diyl]bis(4-hydroxy-6-methyl-2H-pyran-2-one)

Catalog ID
STL073136
SMILES Cc1cc(O)c(c(=O)o1)CC(c1cccc(c1)[N+](=O)[O-])Cc1c(O)cc(oc1=O)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 C21H19NO8 MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO8/c1-11-6-18(23)16(20(25)29-11)9-14(13-4-3-5-15(8-13)22(27)28)10-17-19(24)7-12(2)30-21(17)26/h3-8,14,23-24H,9-10H2,1-2H3
InChIKey
UCYXZQFSDNYZDO-UHFFFAOYSA-N
Synonyms

33(2(3nitrophenyl)propane13diyl)bis(4hydroxy6methyl2Hpyran2one)
4HYDROXY3(3(4HYDROXY6METHYL2OXOPYRAN3YL)2(3NITROPHENYL)PROPYL)6METHYLPYRAN2ONE
CC1=CC(=C(C(=O)O1)CC(CC2=C(C=C(OC2=O)C)O)C3=CC(=CC=C3)(N+)(=O)(O))O
Cc1cc(O)c(c(=O)o1)CC(c1cccc(c1)(N+)(=O)(O))Cc1c(O)cc(oc1=O)C
InChI=1SC21H19NO8c111618(23)16(20(25)2911)914(1343515(813)22(27)28)101719(24)712(2)3021(17)26h38142324H910H212H3
MFCD06650334
ZINC000016756405
ZINC16756405

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Available files

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