Vitas-M small molecule compound
Catalog ID
STK801959
SMILES CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=CC([C@H](O2)C(CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)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 C48H72O14 MW 873.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-InChIKey
RRZXIRBKKLTSOM-FBSRDPOQSA-NSynonyms
CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
CO(C@H)1C(C@H)(O(C@H)2(C@@H)(C)C=CC=C3CO(C@H)4(C@)3(O)(C@@H)(C=C((C@H)4O)C)C(=O)O(C@H)3C(C@@H)(CC=C2C)O(C@)2(C3)C=C(C@@H)((C@H)(O2)C(CC)C)C)O(C@H)((C@@H)1O(C@H)1C(C@H)(OC)(C@H)((C@@H)(O1)C)O)C
CO(C@H)1C(C@H)(O(C@H)2(C@@H)(C)C=CC=C3CO(C@H)4(C@)3(O)(C@@H)(C=C((C@H)4O)C)C(=O)O(C@H)3C(C@@H)(CC=C2C)O(C@)2(C3)C=CC((C@H)(O2)C(CC)C)C)O(C@H)((C@@H)1O(C@H)1C(C@H)(OC)(C@H)((C@@H)(O1)C)O)C
InChI=1SC48H72O14c11125(2)4328(5)171847(6243)23342033(6147)161527(4)42(26(3)1312143224554540(49)29(6)1935(46(51)5834)48(3245)52)59392237(5410)44(31(8)5739)60382136(539)41(50)30(7)5638h1215171925262830313345495052H11162024H2110H3b1312+2715+3214+t25?26
MFCD08282665
ZINC000242649031
ZINC000242649032
ZINC000245224134
ZINC000252694903
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.