Vitas-M small molecule compound
6-[(2,4-difluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426249
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1ccc(cc1F)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 C16H17F2NO3 MW 309.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F2NO3/c1-8-5-11(12(16(21)22)6-9(8)2)15(20)19-14-4-3-10(17)7-13(14)18/h3-4,7,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)InChIKey
FBPUHIZUSSEOAN-UHFFFAOYSA-NSynonyms
6((24DIFLUOROANILINO)CARBONYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6((24difluorophenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(24DIFLUOROPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C=C(C=C2)F)F)C(=O)O)C
InChI=1SC16H17F2NO3c18511(12(16(21)22)69(8)2)15(20)19144310(17)713(14)18h3471112H56H212H3(H1920)(H2122)
MFCD01570717
ZINC000000069670
ZINC000000069679
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