Vitas-M small molecule compound

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

Catalog ID
STK681248
SMILES CCCCC(=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 C31H38N2O3 MW 486.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O3/c1-5-6-12-27(30-28(34)18-31(3,4)19-29(30)35)32-16-15-24-21(2)33-26-14-13-23(17-25(24)26)36-20-22-10-8-7-9-11-22/h7-11,13-14,17,32-33H,5-6,12,15-16,18-20H2,1-4H3
InChIKey
SGZOPAXCICIJHG-UHFFFAOYSA-N
Synonyms

2(1((2(5(benzyloxy)2methyl1Hindol3yl)ethyl)amino)pentylidene)55dimethylcyclohexane13dione
55DIMETHYL2(1(2(2METHYL5PHENYLMETHOXY1HINDOL3YL)ETHYLAMINO)PENTYLIDENE)CYCLOHEXANE13DIONE
CCCCC(=C1C(=O)CC(CC1=O)(C)C)NCCc1c(C)(nH)c2c1cc(OCc1ccccc1)cc2
CCCCC(=C1C(=O)CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C
InChI=1SC31H38N2O3c1561227(3028(34)1831(34)1929(30)35)3216152421(2)3326141323(1725(24)26)362022108791122h7111314173233H561215161820H214H3
MFCD03768757
ZINC000100140291
ZINC100140291

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Available files

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