Vitas-M small molecule compound
4-[({[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}amino)methyl]cyclohexanecarboxylic acid
Catalog ID
STL158377
SMILES COc1cc(F)ccc1c1ccc(=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/c1-30-18-10-15(22)6-7-16(18)17-8-9-20(27)25(24-17)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
VRQIMIRIMAJBSM-UHFFFAOYSA-NSynonyms
1246074-28-1(1r4r)4((2(3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)methyl)cyclohexanecarboxylicacid
1246074281
4((((3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)acetyl)amino)methyl)cyclohexane1carboxylicacid
COC1=C(C=CC(=C1)F)C2=NN(C(=O)C=C2)CC(=O)NCC3CCC(CC3)C(=O)O
COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O
InChI=1SC21H24FN3O5c130181015(22)6716(18)178920(27)25(2417)1219(26)2311132414(5313)21(28)29h6101314H251112H21H3(H2326)(H2829)
MFCD20503448
ZINC000049550487
ZINC101688143
ZINC49550487
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