Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856613
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1cc3c(o1)cccc3)/O2)C[NH+]1CCCC1
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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 C23H21NO4 MW 375.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO4/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(28-23)12-16-11-15-6-2-3-7-19(15)27-16/h2-3,6-7,10-12,25H,4-5,8-9,13H2,1H3/b20-12-InChIKey
SQQOTSFFQGFQNR-NDENLUEZSA-NSynonyms
929837-79-6(2Z)2(1benzofuran2ylmethylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)6hydroxy4methyl7(pyrrolidin1ylmethyl)1benzofuran3one
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY4METHYL7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
929837796
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)CN5CCCC5)O
Cc1cc((O))c(c2c1C(=O)C(=Cc1cc3c(o1)cccc3)O2)C(NH+)1CCCC1
InChI=1SC23H21NO4c1141018(25)17(1324845924)2321(14)22(26)20(2823)12161115623719(15)2716h2367101225H458913H21H3b2012
MFCD09790018
ZINC000020648388
ZINC20648388
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