Vitas-M small molecule compound
6-chloro-8-{[(2-hydroxyethyl)ammonio]methyl}-2-oxo-4-phenyl-2H-chromen-7-olate
Catalog ID
STK638342
SMILES OCC[NH2+]Cc1c([O-])c(Cl)cc2c1oc(=O)cc2c1ccccc1
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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 C18H16ClNO4 MW 345.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO4/c19-15-8-13-12(11-4-2-1-3-5-11)9-16(22)24-18(13)14(17(15)23)10-20-6-7-21/h1-5,8-9,20-21,23H,6-7,10H2InChIKey
QKLDYFCKBHSESF-UHFFFAOYSA-NSynonyms
6chloro7hydroxy8(((2hydroxyethyl)amino)methyl)4phenyl2Hchromen2onehydrochloride
6chloro8(((2hydroxyethyl)ammonio)methyl)2oxo4phenyl2Hchromen7olate
6chloro8((2hydroxyethylazaniumyl)methyl)2oxo4phenylchromen7olate
C1=CC=C(C=C1)C2=CC(=O)OC3=C(C(=C(C=C23)Cl)(O))C(NH2+)CCO
InChI=1SC18H16ClNO4c191581312(114213511)916(22)2418(13)14(17(15)23)10206721h1589202123H6710H2
MFCD09853923
OCC(NH2+)Cc1c((O))c(Cl)cc2c1oc(=O)cc2c1ccccc1
OCCNCc1c(O)c(Cl)cc2c1oc(=O)cc2c1ccccc1Cl
ZINC000013693100
ZINC13693100
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