Vitas-M small molecule compound

2-[1-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)butylidene]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK681193
SMILES CCCC(=C1C(=O)CC(CC1=O)(C)C)NCCc1c(C)[nH]c2c1cc(OCc1ccccc1)cc2

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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 C30H36N2O3 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O3/c1-5-9-26(29-27(33)17-30(3,4)18-28(29)34)31-15-14-23-20(2)32-25-13-12-22(16-24(23)25)35-19-21-10-7-6-8-11-21/h6-8,10-13,16,31-32H,5,9,14-15,17-19H2,1-4H3
InChIKey
MRVSGPJWBKMVOK-UHFFFAOYSA-N
Synonyms

2(1((2(5(benzyloxy)2methyl1Hindol3yl)ethyl)amino)butylidene)55dimethylcyclohexane13dione
55DIMETHYL2(1(2(2METHYL5PHENYLMETHOXY1HINDOL3YL)ETHYLAMINO)BUTYLIDENE)CYCLOHEXANE13DIONE
CCCC(=C1C(=O)CC(CC1=O)(C)C)NCCc1c(C)(nH)c2c1cc(OCc1ccccc1)cc2
CCCC(=C1C(=O)CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C
InChI=1SC30H36N2O3c15926(2927(33)1730(34)1828(29)34)3115142320(2)3225131222(1624(23)25)351921107681121h681013163132H5914151719H214H3
MFCD03768637
ZINC000100140036
ZINC100140036

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Available files

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