Vitas-M small molecule compound
4-butyl-7-({1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-2H-chromen-2-one
Catalog ID
STL541799
SMILES CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O)C
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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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-3-4-7-18-14-23(27)31-22-15-20(9-10-21(18)22)30-17(2)24(28)26-13-12-25(29)11-6-5-8-19(25)16-26/h9-10,14-15,17,19,29H,3-8,11-13,16H2,1-2H3/t17?,19-,25-/m0/s1InChIKey
ZUZBFNNMSSNIBD-LNPMHHSESA-NSynonyms
956942-38-416400990
4butyl7((1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)2Hchromen2one
4butyl7((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)2Hchromen2one
7(1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy4butylchromen2one
956942384
CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N1CCC2(C(C1)CCCC2)O)C
InChI=1SC25H33NO5c1347181423(27)31221520(91021(18)22)3017(2)24(28)26131225(29)1165819(25)1626h9101415171929H38111316H212H3t17?1925m0s1
MFCD05672358
ZINC000004073819
ZINC000004073820
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