Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-4',4'-dimethyl-3,4-dihydro-1H,2'H,6'H-spiro[benzo[f]quinoline-2,1'-cyclohexane]-2',6'-dione

Catalog ID
STK689305
SMILES O=C1CC(C)(C)CC(=O)C21CN(Cc1ccc3c(c1)OCO3)c1c(C2)c2ccccc2cc1

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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 C28H27NO4 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO4/c1-27(2)13-25(30)28(26(31)14-27)12-21-20-6-4-3-5-19(20)8-9-22(21)29(16-28)15-18-7-10-23-24(11-18)33-17-32-23/h3-11H,12-17H2,1-2H3
InChIKey
TYHCKQIXXFAOLJ-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5ylmethyl)44dimethyl34dihydro1H2H6Hspiro(benzo(f)quinoline21cyclohexane)26dione
4(13BENZODIOXOL5YLMETHYL)55DIMETHYLSPIRO(13DIHYDROBENZO(F)QUINOLINE22CYCLOHEXANE)13DIONE
CC1(CC(=O)C2(CC3=C(C=CC4=CC=CC=C34)N(C2)CC5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC28H27NO4c127(2)1325(30)28(26(31)1427)122120643519(20)8922(21)29(1628)15187102324(1118)33173223h311H1217H212H3
MFCD07800960
ZINC000015024481
ZINC15024481

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Available files

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