Vitas-M small molecule compound

42,43,46,47,50,51,54,55-octakis(1-methylcyclopentyl)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-oct

Catalog ID
STL147157
SMILES Oc1cc2Cc3cc(O)c(cc3C3(C)CCCC3)Cc3cc(c(cc3O)Cc3cc(O)c(cc3C3(C)CCCC3)Cc3cc(c(Cc4c(cc(Cc5c(cc(Cc6c(cc(Cc1cc2C1(C)CCCC1)c(O)c6)C1(C)CCCC1)c(c5)C1(C)CCCC1)O)c(O)c4)C1(C)CCCC1)cc3O)C1(C)CCCC1)C1(C)CCCC1

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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 C104H128O8 MW 1506.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C104H128O8/c1-97(25-9-10-26-97)81-49-73-45-74-50-83(99(3)29-13-14-30-99)67(59-91(74)107)42-68-60-93(109)77(53-85(68)101(5)33-17-18-34-101)47-78-54-87(103(7)37-21-22-38-103)71(63-95(78)111)44-72-64-96(112)80(56-88(72)104(8)39-23-24-40-104)48-79-55
InChIKey
KECVUKXERCYUFJ-UHFFFAOYSA-N
Synonyms

CC1(CCCC1)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(CCCC1)C)O)C(=C9)C1(CCCC1)C)O)C=C8C1(CCCC1)C)O)C(=C7)C1(CCCC1)C)O)C=C6C1(CCCC1)C)O)C(=C5)C1(CCCC1)C)O)C=C4C1(CCCC1)C)O)O
InChI=1SC104H128O8c197(259102697)81497345745083(99(3)2913143099)67(5991(74)107)42686093(109)77(5385(68)101(5)33171834101)47785487(103(7)37212238103)71(6395(78)111)44726496(112)80(5688(72)104(8)39232440104)48795586(102(6)35192036102)70(6294(79)110)436
MFCD01879261

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Available files

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