Vitas-M small molecule compound
(2Z)-2-(4-ethylbenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK571669
SMILES CCc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[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 C22H23NO4 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4/c1-2-15-3-5-16(6-4-15)13-20-21(25)17-7-8-19(24)18(22(17)27-20)14-23-9-11-26-12-10-23/h3-8,13,24H,2,9-12,14H2,1H3/b20-13-InChIKey
BVFWKGYPCUXGLE-MOSHPQCFSA-NSynonyms
896840-90-7(2Z)2(4ethylbenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCOCC4
CCc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC22H23NO4c12153516(6415)132021(25)177819(24)18(22(17)2720)142391126121023h381324H291214H21H3b2013
MFCD06601606
ZINC000013816580
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