Vitas-M small molecule compound
7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL537026
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1cc2OCOc2cc1Cl
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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 C31H34ClNO7 MW 568.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO7/c1-18-22-6-8-25(37-16-20-13-26-27(14-24(20)32)39-17-38-26)19(2)29(22)40-30(35)23(18)7-9-28(34)33-12-11-31(36)10-4-3-5-21(31)15-33/h6,8,13-14,21,36H,3-5,7,9-12,15-17H2,1-2H3InChIKey
FUQYKEVKCVXGJJ-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((6chloro13benzodioxol5yl)methoxy)48dimethylchromen2one
3822925
7((6chloro13benzodioxol5yl)methoxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
7((6CHLOROBENZO(D)(13)DIOXOL5YL)METHOXY)3(3(4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)3OXOPROPYL)48DIMETHYL2HCHROMEN2ONE
InChI=1SC31H34ClNO7c118226825(371620132627(1424(20)32)39173826)19(2)29(22)4030(35)23(18)7928(34)33121131(36)1043521(31)1533h6813142136H3579121517H212H3
MFCD07207256
ZINC000002111505
ZINC000103525327
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