Vitas-M small molecule compound

methyl 3-butanoyl-4-(butylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate

Catalog ID
STL297922
SMILES CCCC(=O)C1=C(NCCCC)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 C18H29NO4 MW 323.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29NO4/c1-6-8-10-19-12-11-18(3,4)15(17(22)23-5)16(21)14(12)13(20)9-7-2/h15,19H,6-11H2,1-5H3
InChIKey
MRSMYYBPWCPVJH-UHFFFAOYSA-N
Synonyms

1(BUTYLAMINO)2BUTYRYL3OXO55DIMETHYLCYCLOHEXENE4CARBOXYLICACIDMETHYLESTER
CCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC
InChI=1SC18H29NO4c1681019121118(34)15(17(22)235)16(21)14(12)13(20)972h1519H611H215H3
methyl3butanoyl4(butylamino)66dimethyl2oxocyclohex3ene1carboxylate
METHYL3BUTANOYL4(BUTYLAMINO)66DIMETHYL2OXOCYCLOHEX3ENECARBOXYLATE
methyl4(butylamino)3butyryl66dimethyl2oxocyclohex3enecarboxylate
MFCD00512868
ZINC000100319623
ZINC000100319625

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Available files

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