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)glycine
Catalog ID
STL553272
SMILES O=C(NCC(=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 C21H31NO9 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20?,21?/m1/s1InChIKey
IUWMXNPPXWLHGJ-XQMXLANQSA-NSynonyms
16403548
2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)aceticacid
2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)aceticacid
InChI=1SC21H31NO9c111451412(2)18(2717(26)7615(23)221016(24)25)281921(14)13(11)8920(32919)303121h11141819H410H213H3(H2223)(H2425)t111213+14+181920?21?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)glycine
O=C(NCC(=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
ZINC000100771415
Check stock
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Check stock on Vitas-MAvailable files
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