Vitas-M small molecule compound

4-[({[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL154851
SMILES COc1ccc(c(c1)F)c1ccc(=O)n(n1)CC(=O)NCC1CCC(CC1)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 C21H24FN3O5 MW 417.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN3O5/c1-30-15-6-7-16(17(22)10-15)18-8-9-20(27)25(24-18)12-19(26)23-11-13-2-4-14(5-3-13)21(28)29/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,26)(H,28,29)
InChIKey
BXRNJIOTNGNJFI-UHFFFAOYSA-N
Synonyms
1246059-13-1
(1r4r)4((2(3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)methyl)cyclohexanecarboxylicacid
1246059131
4((((3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2(3(2fluoro4methoxyphenyl)6oxopyridazin1yl)acetyl)amino)methyl)cyclohexane1carboxylicacid
COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3CCC(CC3)C(=O)O)F
COc1ccc(c(c1)F)c1ccc(=O)n(n1)CC(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O
InChI=1SC21H24FN3O5c130156716(17(22)1015)188920(27)25(2418)1219(26)2311132414(5313)21(28)29h6101314H251112H21H3(H2326)(H2829)
MFCD20503864
ZINC000049549381
ZINC101685476
ZINC49549381

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Available files

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