Vitas-M small molecule compound

3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one

Catalog ID
STL461192
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccccc1C

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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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-20-7-3-4-8-22(20)19-35-24-10-11-25-21(2)26(29(33)36-27(25)17-24)12-13-28(32)31-16-15-30(34)14-6-5-9-23(30)18-31/h3-4,7-8,10-11,17,23,34H,5-6,9,12-16,18-19H2,1-2H3
InChIKey
IWVZTIPMCCRSSO-UHFFFAOYSA-N
Synonyms

3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)4methyl7((2methylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((2methylbenzyl)oxy)2Hchromen2one
CC1=CC=CC=C1COC2=CC3=C(C=C2)C(=C(C(=O)O3)CCC(=O)N4CCC5(CCCCC5C4)O)C
InChI=1SC30H35NO5c120734822(20)19352410112521(2)26(29(33)3627(25)1724)121328(32)31161530(34)1465923(30)1831h34781011172334H56912161819H212H3
MFCD10040850
ZINC000002112309
ZINC000011867157

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Available files

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