Vitas-M small molecule compound
3-[(3,4-difluorophenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK454496
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1ccc(c(c1)F)F
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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 C16H15F2NO3 MW 307.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F2NO3/c17-11-6-5-10(7-12(11)18)19-15(20)13-8-1-3-9(4-2-8)14(13)16(21)22/h1,3,5-9,13-14H,2,4H2,(H,19,20)(H,21,22)InChIKey
SPQAOOUJELOKGO-UHFFFAOYSA-NSynonyms
2((34difluorophenyl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((34difluorophenyl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(34DIFLUOROPHENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
C1CC2C=CC1C(C2C(=O)O)C(=O)NC3=CC(=C(C=C3)F)F
InChI=1SC16H15F2NO3c17116510(712(11)18)1915(20)138139(428)14(13)16(21)22h13591314H24H2(H1920)(H2122)
MFCD04226589
ZINC000102308179
ZINC000239412370
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