Vitas-M small molecule compound
3-(benzylamino)-2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK682313
SMILES CCOc1cc(ccc1OCC)CC(=O)C1=C(NCc2ccccc2)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 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)14-22(29)26-21(16-27(3,4)17-23(26)30)28-18-19-10-8-7-9-11-19/h7-13,15,28H,5-6,14,16-18H2,1-4H3InChIKey
QMBPVCIELMAIIZ-UHFFFAOYSA-NSynonyms
3(benzylamino)2((34diethoxyphenyl)acetyl)55dimethylcyclohex2en1one
3(BENZYLAMINO)2(2(34DIETHOXYPHENYL)ACETYL)55DIMETHYLCYCLOHEX2EN1ONE
CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3)OCC
InChI=1SC27H33NO4c153124131220(1525(24)3262)1422(29)2621(1627(34)1723(26)30)281819108791119h7131528H56141618H214H3
MFCD03855292
ZINC000100147583
ZINC100147583
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