Vitas-M small molecule compound
7-{[4-(3-chlorobenzyl)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
STL511432
SMILES OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)Cc1cccc(c1)Cl)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 C26H31ClN2O9 MW 550.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O9/c1-36-24-19(31)15(11-29-7-5-28(6-8-29)10-13-3-2-4-14(27)9-13)17-18(21(24)33)23-25(38-26(17)35)22(34)20(32)16(12-30)37-23/h2-4,9,16,20,22-23,25,30-34H,5-8,10-12H2,1H3InChIKey
BVIPIJBTIBJLJK-UHFFFAOYSA-NSynonyms
(2R3S4S4aR10bS)7((4(3chlorobenzyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy2344atetrahydropyrano(32c)isochromen6(10bH)one
135637629
7((4((3chlorophenyl)methyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344~(a)10~(b)tetrahydro2~(H)pyrano(32c)isochromen6one
7((4(3chlorobenzyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344a10btetrahydropyrano(32c)isochromen6(2H)one
InChI=1SC26H31ClN2O9c1362419(31)15(11297528(6829)101332414(27)913)1718(21(24)33)2325(3826(17)35)22(34)20(32)16(1230)3723h24916202223253034H581012H21H3
MFCD31751403
OC(C@H)1O(C@@H)2(C@@H)((C@H)((C@@H)1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)Cc1cccc(c1)Cl)O)OC
ZINC000504513225
ZINC000504513228
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.