Vitas-M small molecule compound
4-hydroxy-5,20,31-trimethoxy-11,11,26,26-tetramethyl-2,18-dioxa-11,26-diazoniaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaene (non-preferred name)
Catalog ID
STL552648
SMILES COc1cc2CC[N+](C3c2cc1Oc1c(O)c(OC)cc2c1CC[N+](C2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)(C)C)(C)C
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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 C39H46N2O6 MW 638.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45N2O6/c1-40(2)16-14-26-21-34(44-6)36-22-29(26)31(40)19-25-10-13-33(43-5)35(20-25)46-27-11-8-24(9-12-27)18-32-30-23-37(45-7)38(42)39(47-36)28(30)15-17-41(32,3)4/h8-13,20-23,31-32H,14-19H2,1-7H3/q+1/p+1InChIKey
AREGKUNAFUCJDG-UHFFFAOYSA-OSynonyms
(12S25R)4hydroxy52031trimethoxy11112626tetramethyl218dioxa1126diazaheptacyclo(23622^(1417)1^(1923)0^(38)0^(712)0^(2933))hexatriaconta1(31)357141619(34)2022293235dodecaene1126diiumdiiodide
3797313
4hydroxy52031trimethoxy11112626tetramethyl218dioxa1126diazoniaheptacyclo(23622~1417~1~1923~0~38~0~712~0~2933~)hexatriaconta1(31)357141619(34)2022293235dodecaene(nonpreferredname)
52031trimethoxy11112626tetramethyl218dioxa1126diazoniaheptacyclo(23622^(1417)1^(1923)0^(38)0^(712)0^(2933))hexatriaconta1(31)3(8)4614(36)1517(35)192123(34)2932dodecaen4ol
COc1cc2CC(N+)((C@H)3c2cc1Oc1c(O)c(OC)cc2c1CC(N+)((C@H)2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)(C)C)(C)C(I)(I)
InChI=1SC39H45N2O6c140(2)1614262134(446)362229(26)31(40)1925101333(435)35(2025)462711824(91227)1832302337(457)38(42)39(4736)28(30)151741(323)4h81320233132H1419H217H3q+1p+1
ZINC000070665687
ZINC000104266581
Check stock
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Check stock on Vitas-MAvailable files
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