Vitas-M small molecule compound
2-[(3,4-diethoxyphenyl)acetyl]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK683926
SMILES CCOc1cc(ccc1OCC)CC(=O)C1=C(NCCc2ccc(c(c2)OC)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 C30H39NO6 MW 509.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO6/c1-7-36-26-12-10-21(17-28(26)37-8-2)15-23(32)29-22(18-30(3,4)19-24(29)33)31-14-13-20-9-11-25(34-5)27(16-20)35-6/h9-12,16-17,31H,7-8,13-15,18-19H2,1-6H3InChIKey
UNICNKQOQJHTTK-UHFFFAOYSA-NSynonyms
2((34diethoxyphenyl)acetyl)3((2(34dimethoxyphenyl)ethyl)amino)55dimethylcyclohex2en1one
2(2(34DIETHOXYPHENYL)ACETYL)3(2(34DIMETHOXYPHENYL)ETHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCCC3=CC(=C(C=C3)OC)OC)OCC
InChI=1SC30H39NO6c173626121021(1728(26)3782)1523(32)2922(1830(34)1924(29)33)3114132091125(345)27(1620)356h912161731H7813151819H216H3
MFCD05259098
ZINC000100162365
ZINC100162365
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