Vitas-M small molecule compound
8-{[(4-chlorobenzyl)ammonio]methyl}-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK629499
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]Cc1ccc(cc1)Cl)[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 C21H20ClNO5 MW 401.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO5/c1-12-15-7-8-18(24)17(11-23-10-13-3-5-14(22)6-4-13)20(15)28-21(26)16(12)9-19(25)27-2/h3-8,23-24H,9-11H2,1-2H3InChIKey
AOCWLLUGRODODN-UHFFFAOYSA-NSynonyms
8(((4chlorobenzyl)ammonio)methyl)3(2methoxy2oxoethyl)4methyl2oxo2Hchromen7olate
8(((4chlorophenyl)methylazaniumyl)methyl)3(2methoxy2oxoethyl)4methyl2oxochromen7olate
CC1=C(C(=O)OC2=C1C=CC(=C2C(NH2+)CC3=CC=C(C=C3)Cl)(O))CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C(NH2+)Cc1ccc(cc1)Cl)(O)
InChI=1SC21H20ClNO5c112157818(24)17(112310133514(22)6413)20(15)2821(26)16(12)919(25)272h382324H911H212H3
MFCD09844147
ZINC000009420732
ZINC9420732
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