Vitas-M small molecule compound
5,6,6',7,12-pentamethoxy-2-methylberbaman
Catalog ID
STL565089
SMILES COc1ccc2cc1Oc1ccc(cc1)CC1NCCc3c1cc(Oc1c4C(C2)N(C)CCc4c(c(c1OC)OC)OC)c(OC)c3
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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 C38H42N2O7 MW 638.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,28-29,39H,13-18H2,1-6H3InChIKey
JFOOZQIJNIJCOW-UHFFFAOYSA-NSynonyms
(1S14R)919202125pentamethoxy15methyl723dioxa1530diazaheptacyclo(22622^(36)1^(812)1^(1418)0^(2731)0^(2233))hexatriaconta358(34)911182022(33)24(32)2527(31)35dodecaene
3415719
566712pentamethoxy2methylberbaman
919202125pentamethoxy15methyl723dioxa1530diazaheptacyclo(22622^(36)1^(812)1^(1418)0^(2731)0^(2233))hexatriaconta358(34)911182022(33)24(32)2527(31)35dodecaenedihydrochloride
919202125pentamethoxy15methyl723dioxa1530diazaheptacyclo(22622361812114180273102233)hexatriaconta3(36)46(35)81012(34)18(33)1921242631dodecaene
COc1ccc2cc1Oc1ccc(cc1)C(C@@H)1NCCc3c1cc(Oc1c4(C@@H)(C2)N(C)CCc4c(c(c1OC)OC)OC)c(OC)c3
COc1ccc2cc1Oc1ccc(cc1)CC1NCCc3c1cc(Oc1c4C(C2)N(C)CCc4c(c(c1OC)OC)OC)c(OC)c3ClCl
InChI=1SC38H42N2O7c1401614263429(40)182391230(412)32(1923)462510722(81125)1728272133(31(423)2024(27)13153928)4736(34)38(456)37(445)35(26)434h7121921282939H1318H216H3
MFCD01545668
ZINC000033357222
ZINC000257453118
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