Vitas-M small molecule compound
6-[(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]hexanoic acid
Catalog ID
STL553276
SMILES O=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)NCCCCCC(=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 C25H39NO9 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H39NO9/c1-15-8-9-18-16(2)22(32-23-25(18)17(15)12-13-24(3,33-23)34-35-25)31-21(30)11-10-19(27)26-14-6-4-5-7-20(28)29/h15-18,22-23H,4-14H2,1-3H3,(H,26,27)(H,28,29)/t15-,16-,17+,18+,22-,23-,24?,25?/m1/s1InChIKey
XPEVAAIZVBFUGG-OHBKQSFGSA-NSynonyms
16403439
6((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)hexanoicacid
6((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)hexanoicacid
6(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)hexanoicacid
InChI=1SC25H39NO9c115891816(2)22(322325(18)17(15)121324(33323)343525)3121(30)111019(27)2614645720(28)29h15182223H414H213H3(H2627)(H2829)t151617+18+222324?25?m1s1
O=C(CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3)NCCCCCC(=O)O
ZINC000100771204
Check stock
See real-time availability and sample size for STL553276 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.