Vitas-M small molecule compound

3-hexyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-chromen-2-one

Catalog ID
STL461101
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)N1CCC2(C(C1)CCCC2)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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-3-4-5-6-10-23-19(2)22-12-11-21(16-24(22)33-26(23)30)32-18-25(29)28-15-14-27(31)13-8-7-9-20(27)17-28/h11-12,16,20,31H,3-10,13-15,17-18H2,1-2H3
InChIKey
RDOCZILKYBDREX-UHFFFAOYSA-N
Synonyms

3hexyl7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)4methyl2Hchromen2one
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)3hexyl4methylchromen2one
CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N3CCC4(CCCCC4C3)O)OC1=O)C
InChI=1SC27H37NO5c13456102319(2)22121121(1624(22)3326(23)30)321825(29)28151427(31)1387920(27)1728h1112162031H31013151718H212H3
MFCD10040766
ZINC000002108446
ZINC000011866934

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Available files

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