Vitas-M small molecule compound
dimethyl 4,4'-[(5-tert-butyl-2-oxocyclohexane-1,3-diylidene)di(E)methylylidene]dibenzoate
Catalog ID
STK861264
SMILES COC(=O)c1ccc(cc1)/C=C/1\CC(C/C(=C\c2ccc(cc2)C(=O)OC)/C1=O)C(C)(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 C28H30O5 MW 446.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O5/c1-28(2,3)24-16-22(14-18-6-10-20(11-7-18)26(30)32-4)25(29)23(17-24)15-19-8-12-21(13-9-19)27(31)33-5/h6-15,24H,16-17H2,1-5H3/b22-14+,23-15+InChIKey
NADWIFYTOHURMR-HOFJZWJUSA-NSynonyms
CC(C)(C)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C1
COC(=O)c1ccc(cc1)C=C1CC(CC(=Cc2ccc(cc2)C(=O)OC)C1=O)C(C)(C)C
dimethyl44((1Z1E)(5(tertbutyl)2oxocyclohexane13diylidene)bis(methanylylidene))dibenzoate
dimethyl44((5tertbutyl2oxocyclohexane13diylidene)di(E)methylylidene)dibenzoate
InChI=1SC28H30O5c128(23)241622(141861020(11718)26(30)324)25(29)23(1724)151981221(13919)27(31)335h61524H1617H215H3b2214+2315+
METHYL4((E)((3E)5TERTBUTYL3((4METHOXYCARBONYLPHENYL)METHYLIDENE)2OXOCYCLOHEXYLIDENE)METHYL)BENZOATE
MFCD02928567
ZINC000033144986
ZINC33144986
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