Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-4H-chromen-4-one
Catalog ID
STL466699
SMILES COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2CN1CCCCC1c1cccnc1)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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-33-25-11-8-18(14-26(25)34-2)22-17-35-28-20(27(22)32)9-10-24(31)21(28)16-30-13-4-3-7-23(30)19-6-5-12-29-15-19/h5-6,8-12,14-15,17,23,31H,3-4,7,13,16H2,1-2H3InChIKey
IBKPSVLFMZANJP-UHFFFAOYSA-NSynonyms
(S)3(34dimethoxyphenyl)7hydroxy8((2(pyridin3yl)piperidin1yl)methyl)4Hchromen4onehydrochloride
3(34dimethoxyphenyl)7hydroxy8((2(pyridin3yl)piperidin1yl)methyl)4Hchromen4one
3(34dimethoxyphenyl)7hydroxy8((2pyridin3ylpiperidin1yl)methyl)chromen4one
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3CN4CCCCC4C5=CN=CC=C5)O)OC
COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2CN1CCCC(C@H)1c1cccnc1)OCl
InChI=1SC28H28N2O5c1332511818(1426(25)342)2217352820(27(22)32)91024(31)21(28)16301343723(30)196512291519h568121415172331H3471316H212H3
MFCD31750918
ZINC000020761617
ZINC000036592865
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