Vitas-M small molecule compound

3-hydroxy-6-(methoxymethyl)-2-[1-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propyl]-4H-pyran-4-one

Catalog ID
STL543851
SMILES COCc1cc(=O)c(c(o1)C(c1ccc(cc1)OCC(=C)C)CC(=O)N1CCc2c(C1)[nH]c1c2cccc1)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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-19(2)17-38-21-10-8-20(9-11-21)25(31-30(36)28(34)14-22(39-31)18-37-3)15-29(35)33-13-12-24-23-6-4-5-7-26(23)32-27(24)16-33/h4-11,14,25,32,36H,1,12-13,15-18H2,2-3H3
InChIKey
HSTVELZGOZATRS-UHFFFAOYSA-N
Synonyms
1630857-19-0
1630857190
2(3(34DIHYDRO1HPYRIDO(34B)INDOL2(9H)YL)1(4((2METHYLALLYL)OXY)PHENYL)3OXOPROPYL)3HYDROXY6(METHOXYMETHYL)4HPYRAN4ONE
3hydroxy6(methoxymethyl)2(1(4((2methylprop2en1yl)oxy)phenyl)3oxo3(1349tetrahydro2Hbetacarbolin2yl)propyl)4Hpyran4one
3hydroxy6(methoxymethyl)2(1(4(2methylprop2enoxy)phenyl)3oxo3(1349tetrahydropyrido(34b)indol2yl)propyl)pyran4one
91636757
COCc1cc(=O)c(c(o1)C(c1ccc(cc1)OCC(=C)C)CC(=O)N1CCc2c(C1)(nH)c1c2cccc1)O
InChI=1SC31H32N2O6c119(2)17382110820(91121)25(3130(36)28(34)1422(3931)18373)1529(35)3313122423645726(23)3227(24)1633h41114253236H112131518H223H3
MFCD28348914
ZINC000217640595
ZINC000217640667

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Available files

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