Vitas-M small molecule compound
N-{[3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}valine
Catalog ID
STL161811
SMILES O=C(Cn1nc(ccc1=O)c1cccc2c1cccc2)NC(C(=O)O)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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-13(2)20(21(27)28)22-18(25)12-24-19(26)11-10-17(23-24)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,13,20H,12H2,1-2H3,(H,22,25)(H,27,28)InChIKey
XDFRHQVIURGREB-UHFFFAOYSA-NSynonyms
(S)3methyl2(2(3(naphthalen1yl)6oxopyridazin1(6H)yl)acetamido)butanoicacid
3methyl2((2(3naphthalen1yl6oxopyridazin1yl)acetyl)amino)butanoicacid
CC(C)C(C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC3=CC=CC=C32
InChI=1SC21H21N3O4c113(2)20(21(27)28)2218(25)122419(26)111017(2324)1695714634815(14)16h3111320H12H212H3(H2225)(H2728)
MFCD20503570
N((3(naphthalen1yl)6oxopyridazin1(6H)yl)acetyl)valine
O=C(Cn1nc(ccc1=O)c1cccc2c1cccc2)N(C@H)(C(=O)O)C(C)C
ZINC000061719265
ZINC000071335149
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