Vitas-M small molecule compound

11-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-16-hydroxy-9-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-2,4,8,10,12,14-hexamethyl-3,6,15-trioxatricyclo[10.2.1.1~2,4~]hexadecan-7-one (non-preferred name)

Catalog ID
STK384788
SMILES CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC(C3(OC1(C)C3O)C)C(C)C2)C)OC1OC(C)CC(C1O)N(C)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 C37H65NO12 MW 715.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H65NO12/c1-14-24-36(9)33(42)37(10,50-36)29-18(2)16-35(8,49-29)30(48-32-26(39)23(38(11)12)15-19(3)44-32)20(4)27(21(5)31(41)46-24)47-25-17-34(7,43-13)28(40)22(6)45-25/h18-30,32-33,39-40,42H,14-17H2,1-13H3
InChIKey
BRMNLNCFPIYRKT-UHFFFAOYSA-N
Synonyms
11((4(dimethylamino)3hydroxy6methyltetrahydro2Hpyran2yl)oxy)5ethyl16hydroxy9((5hydroxy4methoxy46dimethyltetrahydro2Hpyran2yl)oxy)248101214hexamethyl3615trioxatricy
CCC1C2(C(C(O2)(C3C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)O)C
Registry IDs
MFCD05661834
ZINC000239025474
ZINC000239025477

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.