Vitas-M small molecule compound
(2Z)-2-(3-fluorobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853018
SMILES Fc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(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 C20H18FNO3 MW 339.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FNO3/c21-14-5-3-4-13(10-14)11-18-19(24)15-6-7-17(23)16(20(15)25-18)12-22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2/b18-11-InChIKey
IWPSNXMMYFHKOE-WQRHYEAKSA-NSynonyms
896822-24-5(2Z)2((3FLUOROPHENYL)METHYLIDENE)6HYDROXY7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
(2Z)2(3fluorobenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
2((3FLUOROPHENYL)METHYLENE)6HYDROXY7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
896822245
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)O
Fc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC20H18FNO3c211453413(1014)111819(24)156717(23)16(20(15)2518)1222812922h37101123H128912H2b1811
MFCD06598309
ZINC000002214019
ZINC2214019
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