Vitas-M small molecule compound
3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-6-(piperidinium-1-ylmethyl)-2H-chromen-5-olate
Catalog ID
STK617999
SMILES COC(=O)Cc1c(=O)oc2c(c1C)c([O-])c(c(c2)C)C[NH+]1CCCCC1
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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 C20H25NO5 MW 359.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5/c1-12-9-16-18(13(2)14(20(24)26-16)10-17(22)25-3)19(23)15(12)11-21-7-5-4-6-8-21/h9,23H,4-8,10-11H2,1-3H3InChIKey
BOYPIXUNOOQJFZ-UHFFFAOYSA-NSynonyms
929967-34-03(2methoxy2oxoethyl)47dimethyl2oxo6(piperidin1ium1ylmethyl)chromen5olate
3(2methoxy2oxoethyl)47dimethyl2oxo6(piperidinium1ylmethyl)2Hchromen5olate
929967340
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1C(NH+)3CCCCC3)(O)
COC(=O)Cc1c(=O)oc2c(c1C)c((O))c(c(c2)C)C(NH+)1CCCCC1
InChI=1SC20H25NO5c11291618(13(2)14(20(24)2616)1017(22)253)19(23)15(12)11217546821h923H481011H213H3
MFCD09848816
ZINC000009048812
ZINC9048812
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