Vitas-M small molecule compound

4-butyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2H-chromen-2-one

Catalog ID
STL461097
SMILES CCCCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)N1CCC2(C(C1)CCCC2)O)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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-4-5-8-19-15-23(28)32-22-14-17(2)13-21(24(19)22)31-18(3)25(29)27-12-11-26(30)10-7-6-9-20(26)16-27/h13-15,18,20,30H,4-12,16H2,1-3H3
InChIKey
UVNDARASZBRXGJ-UHFFFAOYSA-N
Synonyms

4butyl5((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)7methyl2Hchromen2one
5(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy4butyl7methylchromen2one
CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)N3CCC4(CCCCC4C3)O
InChI=1SC26H35NO5c1458191523(28)32221417(2)1321(24(19)22)3118(3)25(29)27121126(30)1076920(26)1627h1315182030H41216H213H3
MFCD10040762
ZINC000002112236
ZINC000238937270

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Available files

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