Vitas-M small molecule compound
(1S,5R)-3-[(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534600
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
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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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-18-22-11-24-25(20-6-3-2-4-7-20)17-37-27(24)13-28(22)38-31(36)23(18)12-30(35)32-14-19-10-21(16-32)26-8-5-9-29(34)33(26)15-19/h2-9,11,13,17,19,21H,10,12,14-16H2,1H3/t19-,21+/m0/s1InChIKey
LKEJRRSJNAILAJ-PZJWPPBQSA-NSynonyms
(1R5S)3(2(5methyl7oxo3phenyl7Hfuro(32g)chromen6yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5methyl7oxo3phenyl7Hfuro(32g)chromen6yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC31H26N2O5c11822112425(206324720)173727(24)1328(22)3831(36)23(18)1230(35)3214191021(1632)2685929(34)33(26)1519h291113171921H10121416H21H3t1921+m0s1
MFCD08283332
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
ZINC000008877231
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