Vitas-M small molecule compound
methyl 1-(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)prolinate
Catalog ID
STL553305
SMILES COC(=O)C1CCCN1C(=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 C25H37NO9 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37NO9/c1-14-7-8-17-15(2)22(32-23-25(17)16(14)11-12-24(3,33-23)34-35-25)31-20(28)10-9-19(27)26-13-5-6-18(26)21(29)30-4/h14-18,22-23H,5-13H2,1-4H3/t14-,15-,16+,17+,18?,22-,23-,24-,25?/m1/s1InChIKey
YNHWFQPIXQFZGI-YKKBGKQQSA-NSynonyms
COC(=O)C1CCCN1C(=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
InChI=1SC25H37NO9c114781715(2)22(322325(17)16(14)111224(33323)343525)3120(28)10919(27)26135618(26)21(29)304h14182223H513H214H3t141516+17+18?22232425?m1s1
methyl1(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)pyrrolidine2carboxylate
methyl1(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)prolinate
ZINC000100776919
ZINC000106362136
Check stock
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