Vitas-M small molecule compound

42,43,46,47,50,51,54,55-octakis(1-methylcyclohexyl)nonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentaconta-1(40),3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,41,43,45,47,49,51,53,55-tetracosaene-4,10,14,20,24,30,34,40-octo

Catalog ID
STK537179
SMILES Oc1cc2Cc3cc(O)c(cc3C3(C)CCCCC3)Cc3cc(c(cc3O)Cc3cc(O)c(cc3C3(C)CCCCC3)Cc3cc(c(Cc4c(cc(Cc5c(cc(Cc6c(cc(Cc1cc2C1(C)CCCCC1)c(O)c6)C1(C)CCCCC1)c(c5)C1(C)CCCCC1)O)c(O)c4)C1(C)CCCCC1)cc3O)C1(C)CCCCC1)C1(C)CCCCC1

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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 C112H144O8 MW 1618.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C112H144O8/c1-105(33-17-9-18-34-105)89-57-81-53-82-58-91(107(3)37-21-11-22-38-107)75(67-99(82)115)50-76-68-101(117)85(61-93(76)109(5)41-25-13-26-42-109)55-86-62-95(111(7)45-29-15-30-46-111)79(71-103(86)119)52-80-72-104(120)88(64-96(80)112(8)47-31
InChIKey
HOPZBXUDKQJESI-UHFFFAOYSA-N
Synonyms

CC1(CCCCC1)C2=CC3=C(C=C2CC4=CC(=C(CC5=C(C=C(CC6=CC(=C(CC7=C(C=C(CC8=CC(=C(CC9=C(C=C(CC1=CC(=C(C3)C=C1C1(CCCCC1)C)O)C(=C9)C1(CCCCC1)C)O)C=C8C1(CCCCC1)C)O)C(=C7)C1(CCCCC1)C)O)C=C6C1(CCCCC1)C)O)C(=C5)C1(CCCCC1)C)O)C=C4C1(CCCCC1)C)O)O
InChI=1SC112H144O8c1105(331791834105)89578153825891(107(3)3721112238107)75(6799(82)115)507668101(117)85(6193(76)109(5)4125132642109)55866295(111(7)4529153046111)79(71103(86)119)528072104(120)88(6496(80)112(8)4731163248112)56876394(110(6)4327142844110
MFCD01088300

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.