Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate
Catalog ID
STK847818
SMILES O=C1/C(=C/c2cccnc2)/Oc2c1ccc(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 C21H12N2O6 MW 388.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O6/c24-20-17-7-6-16(28-21(25)14-4-1-5-15(10-14)23(26)27)11-18(17)29-19(20)9-13-3-2-8-22-12-13/h1-12H/b19-9-InChIKey
BXWUKKKMCNRUTI-OCKHKDLRSA-NSynonyms
622366-26-1((2Z)3OXO2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN6YL)3NITROBENZOATE
(2Z)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6yl3nitrobenzoate
(Z)3oxo2(pyridin3ylmethylene)23dihydrobenzofuran6yl3nitrobenzoate
3OXO2(3PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL3NITROBENZOATE
622366261
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3
InChI=1SC21H12N2O6c2420177616(2821(25)1441515(1014)23(26)27)1118(17)2919(20)913328221213h112Hb199
MFCD04197270
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000005249770
ZINC05249770
ZINC5249770
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