Vitas-M small molecule compound
(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-28-(pyrrolidin-1-yl)-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~15,19~.0~5,30~]tritriaconta-1(30),2,4,9,21,23,27-heptaen
Catalog ID
STL558197
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@H]2[C@H]([C@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)OC(C)(C)O2)C)C)/C)N1CCCC1
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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 C44H56N2O12 MW 804.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H56N2O12/c1-21-15-14-16-22(2)42(52)45-32-33(46-18-12-13-19-46)36(50)29-30(35(32)49)34(48)24(4)40-31(29)41(51)44(10,58-40)54-20-17-28(53-11)23(3)38(55-27(7)47)26(6)39-25(5)37(21)56-43(8,9)57-39/h14-17,20-21,23,25-26,28,37-39,48H,12-13,18-19H2,1InChIKey
LCMBEQGDYIBKDI-FZLNEBMJSA-NSynonyms
((7~(S)9~(E)11~(S)12~(R)13~(R)14~(S)15~(S)19~(S)20~(S)21~(E)23~(Z)32~(R))2hydroxy11methoxy3712141717202432nonamethyl6252931tetraoxo28pyrrolidin1yl8161833tetraoxa26azapentacyclo(25311^(47)1^(1519)0^(530))tritriaconta1(30)249212327heptaen13yl)acetate
(7S9E11S12R13R14S15S19S20S21E23Z32R)2hydroxy11methoxy3712141717202432nonamethyl6252931tetraoxo28(pyrrolidin1yl)8161833tetraoxa26azapentacyclo(25311~47~1~1519~0~530~)tritriaconta1(30)249212327heptaen
16398496
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=C(C@@H)((C@H)2(C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)OC(C)(C)O2)C)C)C)N1CCCC1
InChI=1SC44H56N2O12c12115141622(2)42(52)453233(461812131946)36(50)2930(35(32)49)34(48)24(4)4031(29)41(51)44(105840)54201728(5311)23(3)38(5527(7)47)26(6)3925(5)37(21)5643(89)5739h1417202123252628373948H12131819H2111H3(H4552)b1514+2017+2216t2123+25+26+
MFCD03850014
ZINC000254682674
ZINC245226223
Check stock
See real-time availability and sample size for STL558197 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.