Vitas-M small molecule compound
7-[2-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-propyl-2H-chromen-2-one
Catalog ID
STL002228
SMILES CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N1CCC2(C(C1c1ccccc1)CCCC2)O
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-2-8-21-17-27(32)35-25-18-22(12-13-23(21)25)34-19-26(31)30-16-15-29(33)14-7-6-11-24(29)28(30)20-9-4-3-5-10-20/h3-5,9-10,12-13,17-18,24,28,33H,2,6-8,11,14-16,19H2,1H3InChIKey
VYBJTOSVDAFBJG-UHFFFAOYSA-NSynonyms
7(2((1R)4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethoxy)4propyl2Hchromen2one
7(2(4ahydroxy1phenyl13456788aoctahydroisoquinolin2yl)2oxoethoxy)4propylchromen2one
7(2(4AHYDROXY1PHENYLOCTAHYDROISOQUINOLIN2(1H)YL)2OXOETHOXY)4PROPYL2HCHROMEN2ONE
CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC4(CCCCC4C3C5=CC=CC=C5)O
CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N1CCC2(C((C@@H)1c1ccccc1)CCCC2)O
InChI=1SC29H33NO5c128211727(32)35251822(121323(21)25)341926(31)30161529(33)14761124(29)28(30)2094351020h3591012131718242833H26811141619H21H3
MFCD18185354
ZINC000002119656
ZINC000257173733
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