Vitas-M small molecule compound
6-[2-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,3,5-trimethyl-7H-furo[3,2-g]chromen-7-one
Catalog ID
STL540876
SMILES O=C(N1CCC2(C(C1c1ccccc1)CCCC2)O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)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 C31H33NO5 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO5/c1-18-20(3)36-26-17-27-23(15-22(18)26)19(2)24(30(34)37-27)16-28(33)32-14-13-31(35)12-8-7-11-25(31)29(32)21-9-5-4-6-10-21/h4-6,9-10,15,17,25,29,35H,7-8,11-14,16H2,1-3H3InChIKey
WMNMVTJBERCIRD-UHFFFAOYSA-NSynonyms
3449764
6(2((1R)4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethyl)235trimethyl7Hfuro(32g)chromen7one
6(2(4~(a)hydroxy1phenyl13456788~(a)octahydroisoquinolin2yl)2oxoethyl)235trimethylfuro(32g)chromen7one
6(2(4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethyl)235trimethyl7Hfuro(32g)chromen7one
InChI=1SC31H33NO5c11820(3)3626172723(1522(18)26)19(2)24(30(34)3727)1628(33)32141331(35)12871125(31)29(32)2195461021h469101517252935H78111416H213H3
MFCD31755199
O=C(N1CCC2(C((C@@H)1c1ccccc1)CCCC2)O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000002109042
ZINC000504285783
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