Vitas-M small molecule compound
(2Z)-2-(4-ethylbenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856250
SMILES CCc1ccc(cc1)/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 C22H23NO3 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO3/c1-2-15-5-7-16(8-6-15)13-20-21(25)17-9-10-19(24)18(22(17)26-20)14-23-11-3-4-12-23/h5-10,13,24H,2-4,11-12,14H2,1H3/b20-13-InChIKey
PXUQNOGJMLSIPK-MOSHPQCFSA-NSynonyms
929971-54-0(2Z)2((4ethylphenyl)methylidene)6hydroxy7(pyrrolidin1ylmethyl)1benzofuran3one
(2Z)2(4ethylbenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
929971540
CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4
CCc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC22H23NO3c12155716(8615)132021(25)1791019(24)18(22(17)2620)142311341223h5101324H24111214H21H3b2013
MFCD09796538
ZINC000009053682
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