Vitas-M small molecule compound
(1S,5R)-3-{[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL544768
SMILES COc1ccc(cc1OC)c1[nH]nc(c1)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C23H24N4O4 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4/c1-30-20-7-6-15(9-21(20)31-2)17-10-18(25-24-17)23(29)26-11-14-8-16(13-26)19-4-3-5-22(28)27(19)12-14/h3-7,9-10,14,16H,8,11-13H2,1-2H3,(H,24,25)/t14-,16+/m0/s1InChIKey
LKPHQANQHCIRMC-GOEBONIOSA-NSynonyms
(1R5S)3(3(34dimethoxyphenyl)1Hpyrazole5carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5(34dimethoxyphenyl)1Hpyrazol3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1OC)c1n(nH)c(c1)C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC23H24N4O4c130207615(921(20)312)171018(252417)23(29)261114816(1326)1943522(28)27(19)1214h379101416H81113H212H3(H2425)t1416+m0s1
ZINC000225414832
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