Vitas-M small molecule compound
8-{[(1,3-benzodioxol-5-ylmethyl)ammonio]methyl}-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK620682
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C[NH2+]Cc1ccc2c(c1)OCO2)[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 C22H20ClNO7 MW 445.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO7/c1-11-13-6-16(23)20(26)15(21(13)31-22(27)14(11)7-19(25)28-2)9-24-8-12-3-4-17-18(5-12)30-10-29-17/h3-6,24,26H,7-10H2,1-2H3InChIKey
QEPFAYPKVOTUOT-UHFFFAOYSA-NSynonyms
COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C(NH2+)Cc1ccc2c(c1)OCO2)(O))Cl
MFCD08743837
ZINC000020591858
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