Vitas-M small molecule compound
N~2~-(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)glutamine
Catalog ID
STL553266
SMILES O=C(NC(C(=O)O)CCC(=O)N)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 C24H36N2O10 MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36N2O10/c1-12-4-5-15-13(2)21(33-22-24(15)14(12)10-11-23(3,34-22)35-36-24)32-19(29)9-8-18(28)26-16(20(30)31)6-7-17(25)27/h12-16,21-22H,4-11H2,1-3H3,(H2,25,27)(H,26,28)(H,30,31)/t12-,13-,14+,15+,16?,21-,22-,23-,24?/m1/s1InChIKey
IKYZZALDZYIJLW-SGASKJOWSA-NSynonyms
5amino5oxo2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanoicacid
InChI=1SC24H36N2O10c112451513(2)21(332224(15)14(12)101123(33422)353624)3219(29)9818(28)2616(20(30)31)6717(25)27h12162122H411H213H3(H22527)(H2628)(H3031)t121314+15+16?21222324?m1s1
N~2~(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)glutamine
O=C(NC(C(=O)O)CCC(=O)N)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
ZINC000100776239
ZINC000106362123
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.