Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856710
SMILES O=C1/C(=C/c2cc3c(o2)cccc3)/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 C22H19NO4 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO4/c24-18-8-7-16-21(25)20(12-15-11-14-5-1-2-6-19(14)26-15)27-22(16)17(18)13-23-9-3-4-10-23/h1-2,5-8,11-12,24H,3-4,9-10,13H2/b20-12-InChIKey
ZULMPQMAVSEZST-NDENLUEZSA-NSynonyms
929860-59-3(2Z)2(1benzofuran2ylmethylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)6hydroxy7(pyrrolidin1ylmethyl)1benzofuran3one
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
929860593
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC22H19NO4c2418871621(25)20(12151114512619(14)2615)2722(16)17(18)13239341023h1258111224H3491013H2b2012
MFCD09797585
O=C1C(=Cc2cc3c(o2)cccc3)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000009576593
ZINC9576593
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