Vitas-M small molecule compound

3-(dibutan-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK451906
SMILES CCC(N(C(=O)C1C2CCC(C1C(=O)O)O2)C(CC)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 C16H27NO4 MW 297.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27NO4/c1-5-9(3)17(10(4)6-2)15(18)13-11-7-8-12(21-11)14(13)16(19)20/h9-14H,5-8H2,1-4H3,(H,19,20)
InChIKey
MFIHHRMTOMCTDO-UHFFFAOYSA-N
Synonyms

2(DI(BUTAN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3(dibutan2ylcarbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(NNBIS(METHYLPROPYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CCC(C)N(C(C)CC)C(=O)C1C2CCC(C1C(=O)O)O2
InChI=1SC16H27NO4c159(3)17(10(4)62)15(18)13117812(2111)14(13)16(19)20h914H58H214H3(H1920)
MFCD03759248
ZINC000239347156
ZINC000239347159

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Available files

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