Vitas-M small molecule compound
(2Z)-2-(3-nitrobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849443
SMILES O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])/Oc2c1ccc(c2C[NH+]1CCCC1)[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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c23-17-7-6-15-19(24)18(11-13-4-3-5-14(10-13)22(25)26)27-20(15)16(17)12-21-8-1-2-9-21/h3-7,10-11,23H,1-2,8-9,12H2/b18-11-InChIKey
FZJSFDVRFIWFHY-WQRHYEAKSA-NSynonyms
899391-56-1(2Z)2(3nitrobenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((3NITROPHENYL)METHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((3NITROPHENYL)METHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
899391561
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=O)O
InChI=1SC20H18N2O5c2317761519(24)18(111343514(1013)22(25)26)2720(15)16(17)1221812921h37101123H128912H2b1811
MFCD06609855
O=C1C(=Cc2cccc(c2)(N+)(=O)(O))Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000002346778
ZINC2346778
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