Vitas-M small molecule compound
4-methyl-6-{[3-(trifluoromethyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK074536
SMILES CC1=CCC(C(C1)C(=O)Nc1cccc(c1)C(F)(F)F)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 C16H16F3NO3 MW 327.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3NO3/c1-9-5-6-12(15(22)23)13(7-9)14(21)20-11-4-2-3-10(8-11)16(17,18)19/h2-5,8,12-13H,6-7H2,1H3,(H,20,21)(H,22,23)InChIKey
PXDLPTSECRXUQH-UHFFFAOYSA-NSynonyms
4METHYL6((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
CC1=CCC(C(C1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)O
CC1=CCC(C(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O
InChI=1SC16H16F3NO3c195612(15(22)23)13(79)14(21)201142310(811)16(1718)19h2581213H67H21H3(H2021)(H2223)
MFCD08673442
STK074536
ZINC000004600163
ZINC000004600166
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