Vitas-M small molecule compound
7-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
Catalog ID
STL511429
SMILES OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)O)OC
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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 C32H36N2O9 MW 592.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O9/c1-41-30-25(36)20(22-23(27(30)38)29-31(43-32(22)40)28(39)26(37)21(17-35)42-29)16-33-12-14-34(15-13-33)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21,24,26,28-29,31,35-39H,12-17H2,1H3InChIKey
YJGFOEMLJCZCLE-UHFFFAOYSA-NSynonyms
(2R3S4S4aR10bS)7((4benzhydrylpiperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy2344atetrahydropyrano(32c)isochromen6(10bH)one
135637626
7((4(diphenylmethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344a10btetrahydropyrano(32c)isochromen6(2H)one
7((4benzhydrylpiperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344~(a)10~(b)tetrahydro2~(H)pyrano(32c)isochromen6one
InChI=1SC32H36N2O9c1413025(36)20(2223(27(30)38)2931(4332(22)40)28(39)26(37)21(1735)4229)1633121434(151333)24(188425918)19106371119h2112124262829313539H1217H21H3
MFCD31751397
OC(C@H)1O(C@@H)2(C@@H)((C@H)((C@@H)1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)O)OC
ZINC000504253561
ZINC000504253564
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.