Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852878
SMILES O=C1/C(=C/c2ccncc2)/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/c22-16-4-3-14-18(23)17(11-13-5-7-20-8-6-13)24-19(14)15(16)12-21-9-1-2-10-21/h3-8,11,22H,1-2,9-10,12H2/b17-11-InChIKey
LIHPXQLNIWSFDH-BOPFTXTBSA-NSynonyms
899403-74-8(2Z)3oxo2(pyridin4ylmethylidene)7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2(PYRIDIN4YLMETHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2(4PYRIDYLMETHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
899403748
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O
InChI=1SC19H18N2O3c2216431418(23)17(111357208613)2419(14)15(16)12219121021h381122H1291012H2b1711
MFCD06606883
O=C1C(=Cc2ccncc2)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000002330739
ZINC2330739
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