Vitas-M small molecule compound

3-[(3-phenylpropyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

Catalog ID
STK480261
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)NCCCc1ccccc1

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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 C19H23NO3 MW 313.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO3/c21-18(20-12-4-7-13-5-2-1-3-6-13)16-14-8-10-15(11-9-14)17(16)19(22)23/h1-3,5-6,8,10,14-17H,4,7,9,11-12H2,(H,20,21)(H,22,23)
InChIKey
MFRBGFQLDDSTEI-UHFFFAOYSA-N
Synonyms

2(3PHENYLPROPYLCARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
3((3phenylpropyl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3PHENYLPROPYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
C1CC2C=CC1C(C2C(=O)O)C(=O)NCCCC3=CC=CC=C3
InChI=1SC19H23NO3c2118(201247135213613)161481015(11914)17(16)19(22)23h13568101417H4791112H2(H2021)(H2223)
MFCD06065146
ZINC000101441339
ZINC000239159511

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Available files

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