Vitas-M small molecule compound
N-{[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Catalog ID
STL157167
SMILES CCC(C(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc(cc1F)OC)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 C19H22FN3O5 MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22FN3O5/c1-4-11(2)18(19(26)27)21-16(24)10-23-17(25)8-7-15(22-23)13-6-5-12(28-3)9-14(13)20/h5-9,11,18H,4,10H2,1-3H3,(H,21,24)(H,26,27)InChIKey
ZWYBENRYRSAWEE-UHFFFAOYSA-NSynonyms
(2S3R)2(2(3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)3methylpentanoicacid
2((2(3(2fluoro4methoxyphenyl)6oxopyridazin1yl)acetyl)amino)3methylpentanoicacid
CC(C@H)((C@@H)(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc(cc1F)OC)C
CCC(C)C(C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=C(C=C(C=C2)OC)F
InChI=1SC19H22FN3O5c1411(2)18(19(26)27)2116(24)102317(25)8715(2223)136512(283)914(13)20h591118H410H213H3(H2124)(H2627)
MFCD20757906
N((3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)isoleucine
ZINC000049550297
ZINC000071332981
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