Vitas-M small molecule compound
(1S,5R)-3-{[5-(3-chloro-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
STL548579
SMILES COc1ccc(cc1Cl)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 C22H21ClN4O3 MW 424.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3/c1-30-19-6-5-14(8-17(19)23)21-16(9-24-25-21)22(29)26-10-13-7-15(12-26)18-3-2-4-20(28)27(18)11-13/h2-6,8-9,13,15H,7,10-12H2,1H3,(H,24,25)/t13-,15+/m0/s1InChIKey
CVYPPVNFCHKILI-DZGCQCFKSA-NSynonyms
(1R5S)3(3(3chloro4methoxyphenyl)1Hpyrazole4carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5(3chloro4methoxyphenyl)1Hpyrazol4yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1Cl)c1n(nH)cc1C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC22H21ClN4O3c130196514(817(19)23)2116(9242521)22(29)261013715(1226)1832420(28)27(18)1113h26891315H71012H21H3(H2425)t1315+m0s1
ZINC000299754361
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