Vitas-M small molecule compound

dimethyl (2S)-2-[({6-[(6-{[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl}-2-{[(6aR,6bS,8aS,11S,14bS)-11-{[(2R)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl}-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-i

Catalog ID
STL565379
SMILES COC(=O)CC[C@@H](C(=O)OC)NC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)N[C@@H](C(=O)OC)CCC(=O)OC)C)C)C)C(C(C1O)O)OC1OC(C(=O)N[C@H](C(=O)OC)CCC(=O)OC)C(C(C1O)O)O

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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 C63H95N3O25 MW 1294.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C63H95N3O25/c1-58(2)36-20-23-63(7)49(35(67)28-30-31-29-60(4,25-24-59(31,3)26-27-62(30,63)6)57(81)66-34(54(80)87-13)16-19-40(70)84-10)61(36,5)22-21-37(58)88-56-48(44(74)43(73)47(90-56)51(77)65-33(53(79)86-12)15-18-39(69)83-9)91-55-45(75)41(71)42(7
InChIKey
FIUAWIPUZBNQLS-SDZRNAMYSA-N
Synonyms

44662146
COC(=O)CC(C@H)(C(=O)OC)NC(=O)C1OC(OC2CC(C@)3(C(C2(C)C)CC(C@@)2(C3C(=O)C=C3(C@@)2(C)CC(C@@)2(C3C(C@)(C)(CC2)C(=O)N(C@@H)(C(=O)OC)CCC(=O)OC)C)C)C)C(C(C1O)O)OC1OC(C(=O)N(C@@H)(C(=O)OC)CCC(=O)OC)C(C(C1O)O)O
dimethyl(2S)2(((6((6(((2S)15dimethoxy15dioxopentan2yl)carbamoyl)2(((6aR6bS8aS11S14bS)11(((2R)15dimethoxy15dioxopentan2yl)carbamoyl)446a6b8a1114bheptamethyl14oxo12344a566a6b788a910111212a1414a14bi
dimethyl(2S)2((6(2(((6aR6bS8aS11S14bS)11(((2R)15dimethoxy15dioxopentan2yl)carbamoyl)446a6b8a1114bheptamethyl14oxo234a56789101212a14adodecahydro1Hpicen3yl)oxy)6(((2S)15dimethoxy15dioxopentan2yl)carbamoyl)45dihydroxyoxan3yl)oxy345trihydroxyoxane2carbon
InChI=1SC63H95N3O25c158(2)36202363(7)49(35(67)2830312960(4252459(313)262762(3063)6)57(81)6634(54(80)8713)161940(70)8410)61(365)222137(58)885648(44(74)43(73)47(9056)51(77)6533(53(79)8612)151839(69)839)915545(75)41(71)42(72)46(8955)50(76)6432(52(78)851

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.