Vitas-M small molecule compound
2,2'-[(8Z,22Z)-4,12,13,14,18-pentamethoxy-2,16-dioxapentacyclo[22.2.2.1~3,7~.1~17,21~.0~10,15~]triaconta-1(26),3(30),4,6,8,10,12,14,17(29),18,20,22,24,27-tetradecaene-11,20-diyl]bis(N,N-dimethylethanamine) (non-preferred name)
Catalog ID
STL514499
SMILES COc1c(OC)c2Oc3cc(/C=C\c4ccc(Oc5cc(/C=C\c2c(c1OC)CCN(C)C)ccc5OC)cc4)c(cc3OC)CCN(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 C41H48N2O7 MW 680.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H48N2O7/c1-42(2)22-20-30-25-35(45-6)37-26-29(30)15-10-27-11-16-31(17-12-27)49-36-24-28(14-19-34(36)44-5)13-18-32-33(21-23-43(3)4)38(46-7)40(47-8)41(48-9)39(32)50-37/h10-19,24-26H,20-23H2,1-9H3/b15-10-,18-13-InChIKey
ZMVLERJQWHZABW-NMCJNXKNSA-NSynonyms
374699-46-4(2(20(2(dimethylamino)ethyl)412131418pentamethoxy216dioxapentacyclo(22221^(37)1^(1721)0^(1015))triaconta1(26)3(30)46810(15)111317(29)1820222427tetradecaen11yl)ethyl)dimethylamine
22((8Z22Z)412131418pentamethoxy216dioxapentacyclo(22221~37~1~1721~0~1015~)triaconta1(26)3(30)46810121417(29)1820222427tetradecaene1120diyl)bis(NNdimethylethanamine)(nonpreferredname)
374699464
COc1c(OC)c2Oc3cc(C=Cc4ccc(Oc5cc(C=Cc2c(c1OC)CCN(C)C)ccc5OC)cc4)c(cc3OC)CCN(C)C
InChI=1SC41H48N2O7c142(2)2220302535(456)372629(30)151027111631(171227)49362428(141934(36)445)13183233(212343(3)4)38(467)40(478)41(489)39(32)5037h10192426H2023H219H3b15101813
MFCD01546180
ZINC000085867477
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.