Vitas-M small molecule compound
(8xi,14xi,17alpha,19E)-19-{[2-(cyclohex-1-en-1-yl)ethyl]imino}-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Catalog ID
STL527393
SMILES O=C1OCC(=C1)[C@@H]1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCC1=CCCCC1)CCC(C2)OC1CC(O)C(C(O1)C)O)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 C37H55NO8 MW 641.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H55NO8/c1-23-33(41)30(39)19-32(45-23)46-26-8-14-35(22-38-17-12-24-6-4-3-5-7-24)28-9-13-34(2)27(25-18-31(40)44-21-25)11-16-37(34,43)29(28)10-15-36(35,42)20-26/h6,18,22-23,26-30,32-33,39,41-43H,3-5,7-17,19-21H2,1-2H3/b38-22+/t23?,26?,27-,28-,29?InChIKey
LWMUYIBBERONGO-BHEIVVCJSA-NSynonyms
(8xi14xi17alpha19E)19((2(cyclohex1en1yl)ethyl)imino)3((26dideoxyhexopyranosyl)oxy)514dihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17S)10((E)((2(cyclohex1en1yl)ethyl)imino)methyl)3(((2R4S5S6R)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC37H55NO8c12333(41)30(39)1932(4523)462681435(22381712246435724)2891334(2)27(251831(40)442125)111637(3443)29(28)101536(3542)2026h618222326303233394143H357171921H212H3b3822+t23?26?272829?30?32?33?34+3536?37?m0s1
MFCD03661721
O=C1OCC(=C1)(C@@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCCC1=CCCCC1)CC(C@@H)(C2)OC1CC(O)C(C(O1)C)O)O)O
ZINC000253502178
ZINC000253502189
Check stock
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Check stock on Vitas-MAvailable files
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