Vitas-M small molecule compound

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate

Catalog ID
STK851463
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[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 C21H13NO7 MW 391.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO7/c1-12-5-6-15(27-12)11-19-20(23)17-8-7-16(10-18(17)29-19)28-21(24)13-3-2-4-14(9-13)22(25)26/h2-11H,1H3/b19-11-
InChIKey
NESUTSFGBYNCCK-ODLFYWEKSA-N
Synonyms
622366-47-6
((2Z)2((5METHYLFURAN2YL)METHYLIDENE)3OXO1BENZOFURAN6YL)3NITROBENZOATE
(2Z)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6yl3nitrobenzoate
(Z)2((5methylfuran2yl)methylene)3oxo23dihydrobenzofuran6yl3nitrobenzoate
2((5METHYL(2FURYL))METHYLENE)3OXOBENZO(34B)FURAN6YL3NITROBENZOATE
622366476
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H13NO7c1125615(2712)111920(23)178716(1018(17)2919)2821(24)1332414(913)22(25)26h211H1H3b1911
MFCD04160237
ZINC000013759088
ZINC13759088

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Available files

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