Vitas-M small molecule compound
N-{[3-(naphthalen-2-yl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Catalog ID
STL161830
SMILES CCC(C(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc2c(c1)cccc2)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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-3-14(2)21(22(28)29)23-19(26)13-25-20(27)11-10-18(24-25)17-9-8-15-6-4-5-7-16(15)12-17/h4-12,14,21H,3,13H2,1-2H3,(H,23,26)(H,28,29)InChIKey
HRIROBUYCMGIAW-UHFFFAOYSA-NSynonyms
(2S3R)3methyl2(2(3(naphthalen2yl)6oxopyridazin1(6H)yl)acetamido)pentanoicacid
3methyl2((2(3naphthalen2yl6oxopyridazin1yl)acetyl)amino)pentanoicacid
CC(C@H)((C@@H)(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc2c(c1)cccc2)C
CCC(C)C(C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=CC3=CC=CC=C3C=C2
InChI=1SC22H23N3O4c1314(2)21(22(28)29)2319(26)132520(27)111018(2425)179815645716(15)1217h4121421H313H212H3(H2326)(H2829)
MFCD20759489
N((3(naphthalen2yl)6oxopyridazin1(6H)yl)acetyl)isoleucine
ZINC000049546972
ZINC000071335157
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