Vitas-M small molecule compound
3-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoyl]amino}benzoic acid
Catalog ID
STK308118
SMILES O=C(C(Cn1nc(c(c1C)Br)C)C)Nc1cccc(c1)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 C16H18BrN3O3 MW 380.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN3O3/c1-9(8-20-11(3)14(17)10(2)19-20)15(21)18-13-6-4-5-12(7-13)16(22)23/h4-7,9H,8H2,1-3H3,(H,18,21)(H,22,23)InChIKey
OVDUIENPMKAQAY-UHFFFAOYSA-NSynonyms
1005567-39-41005567394
3((3(4bromo35dimethyl1Hpyrazol1yl)2methylpropanoyl)amino)benzoicacid
3((3(4BROMO35DIMETHYLPYRAZOL1YL)2METHYLPROPANOYL)AMINO)BENZOICACID
CC1=C(C(=NN1CC(C)C(=O)NC2=CC=CC(=C2)C(=O)O)C)Br
InChI=1SC16H18BrN3O3c19(82011(3)14(17)10(2)1920)15(21)181364512(713)16(22)23h479H8H213H3(H1821)(H2223)
MFCD04131753
ZINC000002795560
ZINC000002795561
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