Vitas-M small molecule compound
8-[(benzylammonio)methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK630095
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C[NH2+]Cc1ccccc1)[O-])Cl
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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/c1-12-14-8-17(22)19(25)16(11-23-10-13-6-4-3-5-7-13)20(14)28-21(26)15(12)9-18(24)27-2/h3-8,23,25H,9-11H2,1-2H3InChIKey
VJBJMEBEIYSTJD-UHFFFAOYSA-NSynonyms
8((benzylammonio)methyl)6chloro3(2methoxy2oxoethyl)4methyl2oxo2Hchromen7olate
8((benzylazaniumyl)methyl)6chloro3(2methoxy2oxoethyl)4methyl2oxochromen7olate
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH2+)CC3=CC=CC=C3)CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C(NH2+)Cc1ccccc1)(O))Cl
InChI=1SC21H20ClNO5c11214817(22)19(25)16(112310136435713)20(14)2821(26)15(12)918(24)272h382325H911H212H3
MFCD09846808
ZINC000020648645
ZINC20648645
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