Vitas-M small molecule compound

2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]-N-(6-methylheptan-2-yl)acetamide

Catalog ID
STK937399
SMILES COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)NC(CCCC(C)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 C21H28FN3O3 MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN3O3/c1-14(2)6-5-7-15(3)23-20(26)13-25-21(27)11-10-18(24-25)17-9-8-16(22)12-19(17)28-4/h8-12,14-15H,5-7,13H2,1-4H3,(H,23,26)
InChIKey
LXBCQXQEZXJNBV-UHFFFAOYSA-N
Synonyms
1232767-31-5
1232767315
2(3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)N(6methylheptan2yl)acetamide
2(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)N(6methylheptan2yl)acetamide
CC(C)CCCC(C)NC(=O)CN1C(=O)C=CC(=N1)C2=C(C=C(C=C2)F)OC
InChI=1SC21H28FN3O3c114(2)65715(3)2320(26)132521(27)111018(2425)179816(22)1219(17)284h8121415H5713H214H3(H2326)
MFCD18065731
ZINC000044902754
ZINC000044902757

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.