Vitas-M small molecule compound
4-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}benzoic acid
Catalog ID
STK741983
SMILES O=C1C=C(NCc2ccc(cc2)C(=O)O)CC(C1)(C)C
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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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-16(2)8-13(7-14(18)9-16)17-10-11-3-5-12(6-4-11)15(19)20/h3-7,17H,8-10H2,1-2H3,(H,19,20)InChIKey
HLPHVUQJWWDIJD-UHFFFAOYSA-NSynonyms
351163-31-0351163310
4(((55dimethyl3oxocyclohex1en1yl)amino)methyl)benzoicacid
4(((55DIMETHYL3OXOCYCLOHEX1ENYL)AMINO)METHYL)BENZOICACID
4(((55DIMETHYL3OXOCYCLOHEXEN1YL)AMINO)METHYL)BENZOICACID
4((55DIMETHYL3OXOCYCLOHEX1ENYLAMINO)METHYL)BENZOICACID
CC1(CC(=CC(=O)C1)NCC2=CC=C(C=C2)C(=O)O)C
InChI=1SC16H19NO3c116(2)813(714(18)916)1710113512(6411)15(19)20h3717H810H212H3(H1920)
MFCD01417200
ZINC000100001676
ZINC100001676
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