Vitas-M small molecule compound
2-[1-(benzylamino)-2-(3,4-diethoxyphenyl)ethylidene]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK682316
SMILES CCOc1cc(ccc1OCC)CC(=C1C(=O)CC(CC1=O)(C)C)NCc1ccccc1
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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 C27H33NO4 MW 435.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO4/c1-5-31-24-13-12-20(15-25(24)32-6-2)14-21(28-18-19-10-8-7-9-11-19)26-22(29)16-27(3,4)17-23(26)30/h7-13,15,28H,5-6,14,16-18H2,1-4H3InChIKey
CTVWWTQPDUJIAH-UHFFFAOYSA-NSynonyms
2(1(benzylamino)2(34diethoxyphenyl)ethylidene)55dimethylcyclohexane13dione
CCOC1=C(C=C(C=C1)CC(=C2C(=O)CC(CC2=O)(C)C)NCC3=CC=CC=C3)OCC
InChI=1SC27H33NO4c153124131220(1525(24)3262)1421(281819108791119)2622(29)1627(34)1723(26)30h7131528H56141618H214H3
MFCD03855296
ZINC000100147596
ZINC100147596
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