Vitas-M small molecule compound
N-(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)-L-glutamic acid
Catalog ID
STL553256
SMILES O=C(N[C@H](C(=O)O)CCC(=O)O)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 C24H35NO11 MW 513.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35NO11/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)9-7-17(26)25-16(20(30)31)6-8-18(27)28/h12-16,21-22H,4-11H2,1-3H3,(H,25,26)(H,27,28)(H,30,31)/t12-,13-,14+,15+,16+,21-,22-,23?,24?/m1/s1InChIKey
KBMWSQFYOSGIPO-YEOMTCQVSA-NSynonyms
(2~(S))2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)pentanedioicacid
(S)2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanedioicacid
16405534
InChI=1SC24H35NO11c112451513(2)21(332224(15)14(12)101123(33422)353624)3219(29)9717(26)2516(20(30)31)6818(27)28h12162122H411H213H3(H2526)(H2728)(H3031)t121314+15+16+212223?24?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)Lglutamicacid
O=C(N(C@H)(C(=O)O)CCC(=O)O)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100779827
Check stock
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Check stock on Vitas-MAvailable files
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