Vitas-M small molecule compound
(2Z)-2-(2,6-dichlorobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK599145
SMILES O=C1/C(=C/c2c(Cl)cccc2Cl)/Oc2c1ccc(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 C20H17Cl2NO4 MW 406.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2NO4/c21-15-2-1-3-16(22)13(15)10-18-19(25)12-4-5-17(24)14(20(12)27-18)11-23-6-8-26-9-7-23/h1-5,10,24H,6-9,11H2/b18-10-InChIKey
HVEZRMVCCJPGTN-ZDLGFXPLSA-NSynonyms
896066-00-5(2Z)2((26dichlorophenyl)methylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
(2Z)2(26dichlorobenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
C1COCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)Cl)C3=O)(O)
InChI=1SC20H17Cl2NO4c211521316(22)13(15)101819(25)124517(24)14(20(12)2718)112368269723h151024H6911H2b1810
MFCD06591340
O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000002430491
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