Vitas-M small molecule compound
6-{[2-butanoyl-4-(methoxycarbonyl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl]amino}hexanoic acid
Catalog ID
STK617447
SMILES CCCC(=O)C1=C(NCCCCCC(=O)O)CC(C(C1=O)C(=O)OC)(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 C20H31NO6 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO6/c1-5-9-14(22)16-13(21-11-8-6-7-10-15(23)24)12-20(2,3)17(18(16)25)19(26)27-4/h17,21H,5-12H2,1-4H3,(H,23,24)InChIKey
NRECMGNEJYTMFE-UHFFFAOYSA-NSynonyms
3BUTYRYL4(5CARBOXYPENTYLAMINO)66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLICACIDMETHYLESTER
6((2butanoyl4(methoxycarbonyl)55dimethyl3oxocyclohex1en1yl)amino)hexanoicacid
6((2BUTANOYL4METHOXYCARBONYL55DIMETHYL3OXOCYCLOHEXEN1YL)AMINO)HEXANOICACID
6((2butyryl4(methoxycarbonyl)55dimethyl3oxocyclohex1en1yl)amino)hexanoicacid
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCCCCC(=O)O
InChI=1SC20H31NO6c15914(22)1613(21118671015(23)24)1220(23)17(18(16)25)19(26)274h1721H512H214H3(H2324)
ZINC000100319592
ZINC000100319597
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