Vitas-M small molecule compound

5,7-dihydroxy-3-(4-methoxyphenyl)-6,8-bis[(3-methylpiperidin-1-yl)methyl]-4H-chromen-4-one

Catalog ID
STK888814
SMILES COc1ccc(cc1)c1coc2c(c1=O)c(O)c(c(c2CN1CCCC(C1)C)O)CN1CCCC(C1)C

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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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-19-6-4-12-31(14-19)16-23-27(33)24(17-32-13-5-7-20(2)15-32)30-26(28(23)34)29(35)25(18-37-30)21-8-10-22(36-3)11-9-21/h8-11,18-20,33-34H,4-7,12-17H2,1-3H3
InChIKey
IYQRVYVIOCGQIP-UHFFFAOYSA-N
Synonyms
618390-36-6
3(4methoxyphenyl)68bis((3methylpiperidin1ium1yl)methyl)4oxochromene57diolate
57dihydroxy3(4methoxyphenyl)68bis((3methylpiperidin1yl)methyl)4Hchromen4one
57DIHYDROXY3(4METHOXYPHENYL)68BIS((3METHYLPIPERIDIN1YL)METHYL)CHROMEN4ONE
618390366
CC1CCC(NH+)(C1)CC2=C(C(=C3C(=C2(O))C(=O)C(=CO3)C4=CC=C(C=C4)OC)C(NH+)5CCCC(C5)C)(O)
InChI=1SC30H38N2O5c119641231(1419)162327(33)24(1732135720(2)1532)3026(28(23)34)29(35)25(183730)2181022(363)11921h81118203334H471217H213H3
MFCD03852912
ZINC000009034085
ZINC000102811422

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Available files

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