Vitas-M small molecule compound

N-{[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine

Catalog ID
STL161208
SMILES CCC(C(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc(cc1)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 C19H23N3O5 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5/c1-4-12(2)18(19(25)26)20-16(23)11-22-17(24)10-9-15(21-22)13-5-7-14(27-3)8-6-13/h5-10,12,18H,4,11H2,1-3H3,(H,20,23)(H,25,26)
InChIKey
KOQNOOXYEOJXHE-UHFFFAOYSA-N
Synonyms

(2S3R)2(2(3(4methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)3methylpentanoicacid
2((2(3(4methoxyphenyl)6oxopyridazin1yl)acetyl)amino)3methylpentanoicacid
CC(C@H)((C@@H)(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc(cc1)OC)C
CCC(C)C(C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)OC
InChI=1SC19H23N3O5c1412(2)18(19(25)26)2016(23)112217(24)10915(2122)135714(273)8613h5101218H411H213H3(H2023)(H2526)
MFCD20759302
N((3(4methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)isoleucine
ZINC000049549804
ZINC000071334893

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Available files

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