Vitas-M small molecule compound
2-hydroxy-3,3-dimethyl-4-[(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)amino]butanoic acid
Catalog ID
STL553253
SMILES O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3
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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 C25H39NO10 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H39NO10/c1-13-6-7-16-14(2)21(33-22-25(16)15(13)10-11-24(5,34-22)35-36-25)32-18(28)9-8-17(27)26-12-23(3,4)19(29)20(30)31/h13-16,19,21-22,29H,6-12H2,1-5H3,(H,26,27)(H,30,31)/t13-,14-,15+,16+,19?,21-,22-,24-,25?/m1/s1InChIKey
WGDPAPIDNOMNEH-XCMBZUCWSA-NSynonyms
2hydroxy33dimethyl4((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)butanoicacid
2hydroxy33dimethyl4(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanoicacid
InChI=1SC25H39NO10c113671614(2)21(332225(16)15(13)101124(53422)353625)3218(28)9817(27)261223(34)19(29)20(30)31h131619212229H612H215H3(H2627)(H3031)t131415+16+19?21222425?m1s1
O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)O(C@@H)1O(C@@H)2O(C@@)3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100769781
ZINC000106362050
Check stock
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Check stock on Vitas-MAvailable files
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