Vitas-M small molecule compound

4-(11,11-dimethyl-9-oxo-7,8,9,10,11,12-hexahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl octanoate

Catalog ID
STK679432
SMILES CCCCCCCC(=O)Oc1ccc(cc1OC)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccn3

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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 C33H38N2O4 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O4/c1-5-6-7-8-9-12-29(37)39-27-16-13-21(18-28(27)38-4)32-31-23(19-33(2,3)20-26(31)36)30-22-11-10-17-34-24(22)14-15-25(30)35-32/h10-11,13-18,32,35H,5-9,12,19-20H2,1-4H3
InChIKey
MACGOPXWFGMRRX-UHFFFAOYSA-N
Synonyms

(4(1111dimethyl9oxo781012tetrahydrobenzo(a)(47)phenanthrolin8yl)2methoxyphenyl)octanoate
4(1111dimethyl9oxo789101112hexahydrobenzo(a)(47)phenanthrolin8yl)2methoxyphenyloctanoate
CCCCCCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=N5)OC
InChI=1SC33H38N2O4c1567891229(37)3927161321(1828(27)384)323123(1933(23)2026(31)36)30221110173424(22)141525(30)3532h101113183235H59121920H214H3
MFCD03763508
ZINC000003622427
ZINC000003622430

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Available files

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