Vitas-M small molecule compound

7-({4-[(4-chlorophenyl)(phenyl)methyl]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
STL511434
SMILES OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)C(c1ccc(cc1)Cl)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 C32H35ClN2O9 MW 627.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35ClN2O9/c1-42-30-25(37)20(22-23(27(30)39)29-31(44-32(22)41)28(40)26(38)21(16-36)43-29)15-34-11-13-35(14-12-34)24(17-5-3-2-4-6-17)18-7-9-19(33)10-8-18/h2-10,21,24,26,28-29,31,36-40H,11-16H2,1H3
InChIKey
KKTNUFPLDSDJOK-UHFFFAOYSA-N
Synonyms

(2R3S4S4aR10bS)7((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy2344atetrahydropyrano(32c)isochromen6(10bH)one
135637631
7((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344a10btetrahydropyrano(32c)isochromen6(2H)one
7((4((4chlorophenyl)phenylmethyl)piperazin1yl)methyl)34810tetrahydroxy2(hydroxymethyl)9methoxy344~(a)10~(b)tetrahydro2~(H)pyrano(32c)isochromen6one
InChI=1SC32H35ClN2O9c1423025(37)20(2223(27(30)39)2931(4432(22)41)28(40)26(38)21(1636)4329)1534111335(141234)24(175324617)187919(33)10818h2102124262829313640H1116H21H3
MFCD31751411
OC(C@H)1O(C@@H)2(C@@H)((C@H)((C@@H)1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)O)OC
ZINC000504537883
ZINC000504537889

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.