Vitas-M small molecule compound
(1S,5R)-3-[(2-chloro-3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL549725
SMILES Clc1cc2c(c(c1O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)oc(=O)c1c2CCCC1
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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 C25H25ClN2O4 MW 452.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O4/c26-20-9-18-16-4-1-2-5-17(16)25(31)32-24(18)19(23(20)30)13-27-10-14-8-15(12-27)21-6-3-7-22(29)28(21)11-14/h3,6-7,9,14-15,30H,1-2,4-5,8,10-13H2/t14-,15+/m1/s1InChIKey
ABFNHEYFMSPZHB-CABCVRRESA-NSynonyms
(1~(S)9~(R))11((2chloro3hydroxy6oxo78910tetrahydrobenzo(c)chromen4yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3((2chloro3hydroxy6oxo78910tetrahydro6Hbenzo(c)chromen4yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((2chloro3hydroxy6oxo78910tetrahydro6Hbenzo(c)chromen4yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
125427649
Clc1cc2c(c(c1O)CN1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)oc(=O)c1c2CCCC1
InChI=1SC25H25ClN2O4c262091816412517(16)25(31)3224(18)19(23(20)30)13271014815(1227)2163722(29)28(21)1114h3679141530H124581013H2t1415+m1s1
ZINC000524729034
ZINC524729034
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