Vitas-M small molecule compound

7-({4-[2-(2-chlorophenoxy)ethyl]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
STL511428
SMILES OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)CCOc1ccccc1Cl)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 C27H33ClN2O10 MW 581.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O10/c1-37-25-20(32)14(12-30-8-6-29(7-9-30)10-11-38-16-5-3-2-4-15(16)28)18-19(22(25)34)24-26(40-27(18)36)23(35)21(33)17(13-31)39-24/h2-5,17,21,23-24,26,31-35H,6-13H2,1H3
InChIKey
AVBSEJPKSACLPK-UHFFFAOYSA-N
Synonyms

(2R3S4S4aR10bS)7((4(2(2chlorophenoxy)ethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy2344atetrahydropyrano(32c)isochromen6(10bH)one
135637625
7((4(2(2chlorophenoxy)ethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344~(a)10~(b)tetrahydro2~(H)pyrano(32c)isochromen6one
7((4(2(2chlorophenoxy)ethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344a10btetrahydropyrano(32c)isochromen6(2H)one
InChI=1SC27H33ClN2O10c1372520(32)14(12308629(7930)10113816532415(16)28)1819(22(25)34)2426(4027(18)36)23(35)21(33)17(1331)3924h2517212324263135H613H21H3
MFCD31751395
OC(C@H)1O(C@@H)2(C@@H)((C@H)((C@@H)1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)CCOc1ccccc1Cl)O)OC
ZINC000504081684
ZINC000504081687

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Available files

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