Vitas-M small molecule compound

4-butyl-N-[4,5-dihydroxy-9,10-dioxo-8-({[4-(4-pentylcyclohexyl)phenyl]carbonyl}amino)-9,10-dihydroanthracen-1-yl]benzamide

Catalog ID
STK072815
SMILES CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(ccc(c1C2=O)O)NC(=O)c1ccc(cc1)CCCC)O

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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 C43H46N2O6 MW 686.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H46N2O6/c1-3-5-7-9-27-10-14-28(15-11-27)29-18-20-31(21-19-29)43(51)45-33-23-25-35(47)39-37(33)40(48)36-32(22-24-34(46)38(36)41(39)49)44-42(50)30-16-12-26(13-17-30)8-6-4-2/h12-13,16-25,27-28,46-47H,3-11,14-15H2,1-2H3,(H,44,50)(H,45,51)
InChIKey
LMXBRTSKBKBSSM-UHFFFAOYSA-N
Synonyms

4BUTYLN(45DIHYDROXY910DIOXO8(((4(4PENTYLCYCLOHEXYL)PHENYL)CARBONYL)AMINO)910DIHYDROANTHRACEN1YL)BENZAMIDE
4BUTYLN(45DIHYDROXY910DIOXO8((4(4PENTYLCYCLOHEXYL)BENZOYL)AMINO)ANTHRACEN1YL)BENZAMIDE
CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(ccc(c1C2=O)O)NC(=O)c1ccc(cc1)CCCC)O
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)O)C(=O)C5=C(C=CC(=C5C4=O)NC(=O)C6=CC=C(C=C6)CCCC)O
InChI=1SC43H46N2O6c1357927101428(151127)29182031(211929)43(51)4533232535(47)3937(33)40(48)3632(222434(46)38(36)41(39)49)4442(50)30161226(131730)8642h1213162527284647H3111415H212H3(H4450)(H4551)
MFCD00985957
STK072815
ZINC000029493261
ZINC29493261

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Available files

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