Vitas-M small molecule compound
(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-oxo-4-[(pyridin-4-ylmethyl)amino]butanoate
Catalog ID
STL553246
SMILES O=C(NCc1ccncc1)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 C25H34N2O7 MW 474.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O7/c1-15-4-5-19-16(2)22(31-23-25(19)18(15)8-11-24(3,32-23)33-34-25)30-21(29)7-6-20(28)27-14-17-9-12-26-13-10-17/h9-10,12-13,15-16,18-19,22-23H,4-8,11,14H2,1-3H3,(H,27,28)/t15-,16-,18+,19+,22-,23-,24?,25?/m1/s1InChIKey
IQAVHFGHPQBDFZ-CXQQRGJXSA-NSynonyms
((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4oxo4(pyridin4ylmethylamino)butanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4oxo4((pyridin4ylmethyl)amino)butanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4oxo4((pyridin4ylmethyl)amino)butanoate
16402098
InChI=1SC25H34N2O7c115451916(2)22(312325(19)18(15)81124(33223)333425)3021(29)7620(28)27141791226131017h9101213151618192223H481114H213H3(H2728)t151618+19+222324?25?m1s1
O=C(NCc1ccncc1)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100768400
Check stock
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Check stock on Vitas-MAvailable files
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