Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-8a-methyl-3-(((6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino)methyl)-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL541586
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCCc3c1[nH]c1c3cc(cc1)C)C[C@@H]1[C@](C2)(C)CCCC1=C
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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 C28H36N2O2 MW 432.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O2/c1-16-9-10-23-19(12-16)18-7-4-8-24(26(18)30-23)29-15-21-20-13-22-17(2)6-5-11-28(22,3)14-25(20)32-27(21)31/h9-10,12,20-22,24-25,29-30H,2,4-8,11,13-15H2,1,3H3/t20-,21?,22+,24?,25-,28-/m1/s1InChIKey
LJQXLSPSQISBRZ-LCDQWELUSA-NSynonyms
956997-64-1(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3(((6methyl2349tetrahydro1~(H)carbazol1yl)amino)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)8amethyl3(((6methyl2349tetrahydro1Hcarbazol1yl)amino)methyl)5methylenedecahydronaphtho(23b)furan2(3H)one
16400303
956997641
InChI=1SC28H36N2O2c1169102319(1216)1874824(26(18)3023)29152120132217(2)651128(223)1425(20)3227(21)31h91012202224252930H248111315H213H3t2021?22+24?2528m1s1
MFCD32650011
O=C1O(C@H)2(C@@H)(C1CNC1CCCc3c1(nH)c1c3cc(cc1)C)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000008918158
ZINC000012864215
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.