Vitas-M small molecule compound
3,3-dimethyl-5-oxo-5-{[3-(trifluoromethyl)phenyl]amino}pentanoic acid
Catalog ID
STK112588
SMILES O=C(CC(CC(=O)O)(C)C)Nc1cccc(c1)C(F)(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 C14H16F3NO3 MW 303.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F3NO3/c1-13(2,8-12(20)21)7-11(19)18-10-5-3-4-9(6-10)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,19)(H,20,21)InChIKey
HFYTZMDMZSJWAF-UHFFFAOYSA-NSynonyms
33DIMETHYL5OXO5((3(TRIFLUOROMETHYL)PHENYL)AMINO)PENTANOICACID
33DIMETHYL5OXO5(3(TRIFLUOROMETHYL)ANILINO)PENTANOICACID
CC(C)(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)CC(=O)O
InChI=1SC14H16F3NO3c113(2812(20)21)711(19)18105349(610)14(1516)17h36H78H212H3(H1819)(H2021)
MFCD08678586
ZINC000004689776
ZINC4689776
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