Vitas-M small molecule compound
methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(propan-2-ylamino)cyclohex-3-ene-1-carboxylate
Catalog ID
STL297925
SMILES CCCC(=O)C1=C(NC(C)C)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 C17H27NO4 MW 309.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27NO4/c1-7-8-12(19)13-11(18-10(2)3)9-17(4,5)14(15(13)20)16(21)22-6/h10,14,18H,7-9H2,1-6H3InChIKey
BUGFFCBXCOJZGR-UHFFFAOYSA-NSynonyms
3BUTYRYL4ISOPROPYLAMINO66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLICACIDMETHYLESTER
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC(C)C
InChI=1SC17H27NO4c17812(19)1311(1810(2)3)917(45)14(15(13)20)16(21)226h101418H79H216H3
methyl3butanoyl66dimethyl2oxo4(propan2ylamino)cyclohex3ene1carboxylate
methyl3butyryl4(isopropylamino)66dimethyl2oxocyclohex3enecarboxylate
MFCD00512878
ZINC000100319115
ZINC000100319117
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