Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848606
SMILES O=C1/C(=C/c2cccnc2)/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 C19H18N2O3 MW 322.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3/c22-16-6-5-14-18(23)17(10-13-4-3-7-20-11-13)24-19(14)15(16)12-21-8-1-2-9-21/h3-7,10-11,22H,1-2,8-9,12H2/b17-10-InChIKey
XWRSIUBEAXBAHS-YVLHZVERSA-NSynonyms
896819-78-6(2Z)3oxo2(pyridin3ylmethylidene)7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2(PYRIDIN3YLMETHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2(3PYRIDYLMETHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
896819786
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)O
InChI=1SC19H18N2O3c2216651418(23)17(1013437201113)2419(14)15(16)1221812921h37101122H128912H2b1710
MFCD06597526
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000013206935
ZINC13206935
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