Vitas-M small molecule compound

3-(4-bromophenyl)-6-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one

Catalog ID
STL461634
SMILES Brc1ccc(cc1)c1coc2c1cc1c(C)c(CCC(=O)N3CCC4(C(C3)CCCC4)O)c(=O)oc1c2C

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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 C31H32BrNO5 MW 578.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32BrNO5/c1-18-23(10-11-27(34)33-14-13-31(36)12-4-3-5-21(31)16-33)30(35)38-29-19(2)28-25(15-24(18)29)26(17-37-28)20-6-8-22(32)9-7-20/h6-9,15,17,21,36H,3-5,10-14,16H2,1-2H3
InChIKey
JQKUGDUYKCDYEM-UHFFFAOYSA-N
Synonyms

3(4bromophenyl)6(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)59dimethyl7Hfuro(32g)chromen7one
6(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)3(4bromophenyl)59dimethylfuro(32g)chromen7one
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Br)CCC(=O)N5CCC6(CCCCC6C5)O
InChI=1SC31H32BrNO5c11823(101127(34)33141331(36)1243521(31)1633)30(35)382919(2)2825(1524(18)29)26(173728)206822(32)9720h6915172136H35101416H212H3
MFCD07199354
ZINC000002110994
ZINC000011867362

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Available files

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