Vitas-M small molecule compound
({[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}amino)(phenyl)acetic acid
Catalog ID
STL161987
SMILES COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)NC(c1ccccc1)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 C21H18FN3O5 MW 411.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O5/c1-30-17-11-14(22)7-8-15(17)16-9-10-19(27)25(24-16)12-18(26)23-20(21(28)29)13-5-3-2-4-6-13/h2-11,20H,12H2,1H3,(H,23,26)(H,28,29)InChIKey
JEJZJPSKSGJMMO-UHFFFAOYSA-NSynonyms
(((3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)amino)(phenyl)aceticacid
(R)2(2(3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)2phenylaceticacid
2((2(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)acetyl)amino)2phenylaceticacid
COC1=C(C=CC(=C1)F)C2=NN(C(=O)C=C2)CC(=O)NC(C3=CC=CC=C3)C(=O)O
COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)N(C@H)(c1ccccc1)C(=O)O
InChI=1SC21H18FN3O5c130171114(22)7815(17)1691019(27)25(2416)1218(26)2320(21(28)29)135324613h21120H12H21H3(H2326)(H2829)
MFCD20503257
ZINC000049550452
ZINC000071335214
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