Vitas-M small molecule compound

7-[2-(1-butyl-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-8-methyl-4-propyl-2H-chromen-2-one

Catalog ID
STL461628
SMILES CCCCC1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)cc2CCC

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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 C28H39NO5 MW 469.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO5/c1-4-6-11-23-22-10-7-8-14-28(22,32)15-16-29(23)25(30)18-33-24-13-12-21-20(9-5-2)17-26(31)34-27(21)19(24)3/h12-13,17,22-23,32H,4-11,14-16,18H2,1-3H3
InChIKey
GTCIWEZRTKCJSP-UHFFFAOYSA-N
Synonyms

7(2(1butyl4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)8methyl4propylchromen2one
7(2(1butyl4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)8methyl4propyl2Hchromen2one
CCCCC1C2CCCCC2(CCN1C(=O)COC3=C(C4=C(C=C3)C(=CC(=O)O4)CCC)C)O
InChI=1SC28H39NO5c14611232210781428(2232)151629(23)25(30)18332413122120(952)1726(31)3427(21)19(24)3h121317222332H411141618H213H3
MFCD10041030
ZINC000002111495
ZINC000035043731

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Available files

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