Vitas-M small molecule compound
(1S,5R)-3-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL546587
SMILES COc1ccc(cc1)c1[nH]ncc1C(=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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-29-17-7-5-15(6-8-17)21-18(10-23-24-21)22(28)25-11-14-9-16(13-25)19-3-2-4-20(27)26(19)12-14/h2-8,10,14,16H,9,11-13H2,1H3,(H,23,24)/t14-,16+/m0/s1InChIKey
LDGNSWUYSRTOMX-GOEBONIOSA-NSynonyms
(1R5S)3(3(4methoxyphenyl)1Hpyrazole4carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5(4methoxyphenyl)1Hpyrazol4yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)c1n(nH)cc1C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC22H22N4O3c129177515(6817)2118(10232421)22(28)251114916(1325)1932420(27)26(19)1214h28101416H91113H21H3(H2324)t1416+m0s1
ZINC000299754417
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