Vitas-M small molecule compound
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one
Catalog ID
STL461632
SMILES COc1ccc(cc1)c1coc2c1cc1c(C)c(CC(=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 C31H33NO6 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO6/c1-18-23-14-25-26(20-7-9-22(36-3)10-8-20)17-37-28(25)19(2)29(23)38-30(34)24(18)15-27(33)32-13-12-31(35)11-5-4-6-21(31)16-32/h7-10,14,17,21,35H,4-6,11-13,15-16H2,1-3H3InChIKey
IPRBAVHFEKFSKR-UHFFFAOYSA-NSynonyms
6(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)3(4methoxyphenyl)59dimethylfuro(32g)chromen7one
6(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)3(4methoxyphenyl)59dimethyl7Hfuro(32g)chromen7one
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)OC)CC(=O)N5CCC6(CCCCC6C5)O
InChI=1SC31H33NO6c11823142526(207922(363)10820)173728(25)19(2)29(23)3830(34)24(18)1527(33)32131231(35)1154621(31)1632h71014172135H4611131516H213H3
MFCD10041033
ZINC000002108724
ZINC000011867356
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