Vitas-M small molecule compound
3-benzyl-6-chloro-8-{[(2-methoxyethyl)ammonio]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK626501
SMILES COCC[NH2+]Cc1c([O-])c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1
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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 C21H22ClNO4 MW 387.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO4/c1-13-15-11-18(22)19(24)17(12-23-8-9-26-2)20(15)27-21(25)16(13)10-14-6-4-3-5-7-14/h3-7,11,23-24H,8-10,12H2,1-2H3InChIKey
DLETVIGWUYYXEG-UHFFFAOYSA-NSynonyms
3benzyl6chloro8(((2methoxyethyl)ammonio)methyl)4methyl2oxo2Hchromen7olate
3benzyl6chloro8((2methoxyethylazaniumyl)methyl)4methyl2oxochromen7olate
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH2+)CCOC)CC3=CC=CC=C3
COCC(NH2+)Cc1c((O))c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1
InChI=1SC21H22ClNO4c113151118(22)19(24)17(122389262)20(15)2721(25)16(13)10146435714h37112324H81012H212H3
MFCD09847622
ZINC000020649298
ZINC20649298
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