Vitas-M small molecule compound
N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Catalog ID
STL162755
SMILES CCC(C(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc(c(c1)OC)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 C20H25N3O6 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O6/c1-5-12(2)19(20(26)27)21-17(24)11-23-18(25)9-7-14(22-23)13-6-8-15(28-3)16(10-13)29-4/h6-10,12,19H,5,11H2,1-4H3,(H,21,24)(H,26,27)InChIKey
RJCFXBUAYRABEN-UHFFFAOYSA-NSynonyms
(2S3R)2(2(3(34dimethoxyphenyl)6oxopyridazin1(6H)yl)acetamido)3methylpentanoicacid
2((2(3(34dimethoxyphenyl)6oxopyridazin1yl)acetyl)amino)3methylpentanoicacid
CC(C@H)((C@@H)(C(=O)O)NC(=O)Cn1nc(ccc1=O)c1ccc(c(c1)OC)OC)C
CCC(C)C(C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=CC(=C(C=C2)OC)OC
InChI=1SC20H25N3O6c1512(2)19(20(26)27)2117(24)112318(25)9714(2223)136815(283)16(1013)294h6101219H511H214H3(H2124)(H2627)
MFCD20759800
N((3(34dimethoxyphenyl)6oxopyridazin1(6H)yl)acetyl)isoleucine
ZINC000049549623
ZINC000071335535
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