Vitas-M small molecule compound

methyl 4-[(3-acetylphenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate

Catalog ID
STL298134
SMILES CCCC(=O)C1=C(Nc2cccc(c2)C(=O)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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-6-8-17(25)18-16(23-15-10-7-9-14(11-15)13(2)24)12-22(3,4)19(20(18)26)21(27)28-5/h7,9-11,19,23H,6,8,12H2,1-5H3
InChIKey
NWJSIIDPFHJBRU-UHFFFAOYSA-N
Synonyms

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC(=C2)C(=O)C
InChI=1SC22H27NO5c16817(25)1816(2315107914(1115)13(2)24)1222(34)19(20(18)26)21(27)285h79111923H6812H215H3
methyl4((3acetylphenyl)amino)3butanoyl66dimethyl2oxocyclohex3ene1carboxylate
methyl4((3acetylphenyl)amino)3butyryl66dimethyl2oxocyclohex3enecarboxylate
METHYL4(3ACETYLANILINO)3BUTANOYL66DIMETHYL2OXOCYCLOHEX3ENE1CARBOXYLATE
MFCD01130217
ZINC000000805851
ZINC000000805852

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.