Vitas-M small molecule compound
(4-methoxyphenyl)[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetonitrile
Catalog ID
STL526606
SMILES COc1ccc(cc1)C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C#N
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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 C20H21N3O2 MW 335.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2/c1-25-17-7-5-15(6-8-17)19(10-21)22-11-14-9-16(13-22)18-3-2-4-20(24)23(18)12-14/h2-8,14,16,19H,9,11-13H2,1H3/t14-,16+,19?/m0/s1InChIKey
POSSUNMJJOKNBO-FSGMKPHLSA-NSynonyms
(4methoxyphenyl)((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)acetonitrile
2(4methoxyphenyl)2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetonitrile
COc1ccc(cc1)C(N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C#N
InChI=1SC20H21N3O2c125177515(6817)19(1021)221114916(1322)1832420(24)23(18)1214h28141619H91113H21H3t1416+19?m0s1
MFCD03006122
ZINC000100746510
ZINC000100746511
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