Vitas-M small molecule compound
7-{[4-(1,3-benzodioxol-5-ylmethyl)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
STL511431
SMILES OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C27H32N2O11 MW 560.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O11/c1-36-25-20(31)14(10-29-6-4-28(5-7-29)9-13-2-3-15-16(8-13)38-12-37-15)18-19(22(25)33)24-26(40-27(18)35)23(34)21(32)17(11-30)39-24/h2-3,8,17,21,23-24,26,30-34H,4-7,9-12H2,1H3InChIKey
POHSHDAKXFIOAX-UHFFFAOYSA-NSynonyms
(2R3S4S4aR10bS)7((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy2344atetrahydropyrano(32c)isochromen6(10bH)one
135637628
7((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344~(a)10~(b)tetrahydro2~(H)pyrano(32c)isochromen6one
7((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344a10btetrahydropyrano(32c)isochromen6(2H)one
InChI=1SC27H32N2O11c1362520(31)14(10296428(5729)913231516(813)38123715)1819(22(25)33)2426(4027(18)35)23(34)21(32)17(1130)3924h23817212324263034H47912H21H3
MFCD31751399
OC(C@H)1O(C@@H)2(C@@H)((C@H)((C@@H)1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)O)OC
ZINC000504175886
ZINC000504175900
Check stock
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Check stock on Vitas-MAvailable files
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