Vitas-M small molecule compound
2-[(3,4-diethoxyphenyl)acetyl]-3-[(4-methoxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK773685
SMILES CCOc1cc(ccc1OCC)CC(=O)C1=C(Nc2ccc(cc2)OC)CC(CC1=O)(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 C27H33NO5 MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5/c1-6-32-24-13-8-18(15-25(24)33-7-2)14-22(29)26-21(16-27(3,4)17-23(26)30)28-19-9-11-20(31-5)12-10-19/h8-13,15,28H,6-7,14,16-17H2,1-5H3InChIKey
QOFCKUJLSBBXTA-UHFFFAOYSA-NSynonyms
2((34diethoxyphenyl)acetyl)3((4methoxyphenyl)amino)55dimethylcyclohex2en1one
2(2(34DIETHOXYPHENYL)ACETYL)3(4METHOXYANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NC3=CC=C(C=C3)OC)OCC
InChI=1SC27H33NO5c16322413818(1525(24)3372)1422(29)2621(1627(34)1723(26)30)281991120(315)121019h8131528H67141617H215H3
MFCD03855293
ZINC000001080646
ZINC01080646
ZINC1080646
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