Vitas-M small molecule compound
ethyl 4-[(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-13-(acetyloxy)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-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-hept
Catalog ID
STL558126
SMILES CCOC(=O)N1CCN(CC1)C1=C2NC(=O)/C(=C\C=C\[C@H](C)[C@@H]3OC(C)(C)O[C@H]([C@@H]3C)[C@@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]3(C(=O)c4c(C1=O)c(C2=O)c(O)c(c4O3)C)C)OC)C)OC(=O)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 C47H61N3O14 MW 892.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H61N3O14/c1-13-59-45(57)50-20-18-49(19-21-50)35-34-37(53)32-31(38(35)54)33-42(26(5)36(32)52)64-47(11,43(33)55)60-22-17-30(58-12)25(4)40(61-29(8)51)28(7)41-27(6)39(62-46(9,10)63-41)23(2)15-14-16-24(3)44(56)48-34/h14-17,22-23,25,27-28,30,39-41,5InChIKey
DNENKAQJQROMKF-AHIGRCGXSA-NSynonyms
16398529
CCOC(=O)N1CCN(CC1)C1=C2NC(=O)C(=CC=C(C@H)(C)(C@@H)3OC(C)(C)O(C@@H)((C@@H)3C)(C@@H)((C@@H)((C@@H)((C@H)(C=CO(C@@)3(C(=O)c4c(C1=O)c(C2=O)c(O)c(c4O3)C)C)OC)C)OC(=O)C)C)C
ethyl4((7~(S)9~(E)11~(S)12~(R)13~(R)14~(S)15~(S)19~(S)20~(S)21~(E)23~(Z)32~(R))13acetyloxy2hydroxy11methoxy3712141717202432nonamethyl6252931tetraoxo8161833tetraoxa26azapentacyclo(25311^(47)1^(1519)0^(530))tritriaconta1(30)249212327heptaen28yl)piperaz
ethyl4((7S9E11S12R13R14S15S19S20S21E23Z32R)13(acetyloxy)2hydroxy11methoxy3712141717202432nonamethyl6252931tetraoxo8161833tetraoxa26azapentacyclo(25311~47~1~1519~0~530~)tritriaconta1(30)249212327hept
InChI=1SC47H61N3O14c1135945(57)50201849(192150)353437(53)3231(38(35)54)3342(26(5)36(32)52)6447(1143(33)55)60221730(5812)25(4)40(6129(8)51)28(7)4127(6)39(6246(910)6341)23(2)15141624(3)44(56)4834h1417222325272830394152H131821H2112H3(H4856)b1514+2217+24
MFCD03850141
ZINC000254736558
ZINC245226020
Check stock
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Check stock on Vitas-MAvailable files
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