Vitas-M small molecule compound

3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK460345
SMILES CC(CN(C(=O)C1C2C=CC(C1C(=O)O)C2)CC(C)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 C17H27NO3 MW 293.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27NO3/c1-10(2)8-18(9-11(3)4)16(19)14-12-5-6-13(7-12)15(14)17(20)21/h5-6,10-15H,7-9H2,1-4H3,(H,20,21)
InChIKey
SJGBQULHVBDHNC-UHFFFAOYSA-N
Synonyms

2(BIS(2METHYLPROPYL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(bis(2methylpropyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(NNBIS(2METHYLPROPYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC(C)CN(CC(C)C)C(=O)C1C2CC(C1C(=O)O)C=C2
InChI=1SC17H27NO3c110(2)818(911(3)4)16(19)14125613(712)15(14)17(20)21h561015H79H214H3(H2021)
MFCD02584860
ZINC000102090445
ZINC000239203422

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Available files

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