Vitas-M small molecule compound

4-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoic acid

Catalog ID
STK607206
SMILES O=C(C12CCC(C1)C(C2=C)(C)C)Nc1ccc(cc1)C(=O)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 C18H21NO3 MW 299.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO3/c1-11-17(2,3)13-8-9-18(11,10-13)16(22)19-14-6-4-12(5-7-14)15(20)21/h4-7,13H,1,8-10H2,2-3H3,(H,19,22)(H,20,21)
InChIKey
JINZAULNUUUWCJ-UHFFFAOYSA-N
Synonyms
889307-52-2
4(((33dimethyl2methylidenebicyclo(221)hept1yl)carbonyl)amino)benzoicacid
4((22dimethyl3methylidenebicyclo(221)heptane4carbonyl)amino)benzoicacid
4(33dimethyl2methylenebicyclo(221)heptane1carboxamido)benzoicacid
889307522
CC1(C2CCC(C2)(C1=C)C(=O)NC3=CC=C(C=C3)C(=O)O)C
InChI=1SC18H21NO3c11117(23)138918(111013)16(22)19146412(5714)15(20)21h4713H1810H223H3(H1922)(H2021)
MFCD08286075
ZINC000101404655

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Available files

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