Vitas-M small molecule compound
4-butyl-6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-2H-chromen-2-one
Catalog ID
STL537271
SMILES CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)N1CCC2(C(C1)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 C24H30ClNO5 MW 447.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30ClNO5/c1-2-3-6-16-11-23(28)31-20-13-21(19(25)12-18(16)20)30-15-22(27)26-10-9-24(29)8-5-4-7-17(24)14-26/h11-13,17,29H,2-10,14-15H2,1H3InChIKey
PFSKGLGIQLSKPU-UHFFFAOYSA-NSynonyms
3763776
4butyl6chloro7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)2Hchromen2one
7(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethoxy)4butyl6chlorochromen2one
InChI=1SC24H30ClNO5c1236161123(28)31201321(19(25)1218(16)20)301522(27)2610924(29)854717(24)1426h11131729H2101415H21H3
MFCD31754497
ZINC000002109248
ZINC000015954276
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