Vitas-M small molecule compound
6-chloro-4-ethyl-8-{[(1-hydroxy-2-methylpropan-2-yl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Catalog ID
STK622410
SMILES OCC([NH2+]Cc1c([O-])c(Cl)cc2c1oc(=O)cc2CC)(C)C
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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 C16H20ClNO4 MW 325.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClNO4/c1-4-9-5-13(20)22-15-10(9)6-12(17)14(21)11(15)7-18-16(2,3)8-19/h5-6,18-19,21H,4,7-8H2,1-3H3InChIKey
ZGAVOLWNJGRAPH-UHFFFAOYSA-NSynonyms
6chloro4ethyl8(((1hydroxy2methylpropan2yl)ammonio)methyl)2oxo2Hchromen7olate
6chloro4ethyl8(((1hydroxy2methylpropan2yl)azaniumyl)methyl)2oxochromen7olate
CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH2+)C(C)(C)CO
InChI=1SC16H20ClNO4c149513(20)221510(9)612(17)14(21)11(15)71816(23)819h56181921H478H213H3
MFCD08748510
OCC((NH2+)Cc1c((O))c(Cl)cc2c1oc(=O)cc2CC)(C)C
ZINC000020623389
ZINC20623389
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