Vitas-M small molecule compound
1-(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl)-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanone
Catalog ID
STL511587
SMILES COc1ccc(cc1)c1n[nH]c(c1CC(=O)N1CCCC2=CC3CC(C12)CN1CCCCC31)C
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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 C28H36N4O2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O2/c1-18-24(27(30-29-18)19-8-10-23(34-2)11-9-19)16-26(33)32-13-5-6-20-14-21-15-22(28(20)32)17-31-12-4-3-7-25(21)31/h8-11,14,21-22,25,28H,3-7,12-13,15-17H2,1-2H3,(H,29,30)InChIKey
CJSFTDVMBWLYJX-UHFFFAOYSA-NSynonyms
1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2(3(4methoxyphenyl)5methyl1Hpyrazol4yl)ethanone
1(315diazatetracyclo(7710^(27)0^(1015))heptadec7en3yl)2(3(4methoxyphenyl)5methyl1~(H)pyrazol4yl)ethanone
1(34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2(3(4methoxyphenyl)5methyl1Hpyrazol4yl)ethanone
135638026
COc1ccc(cc1)c1n(nH)c(c1CC(=O)N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)C
InChI=1SC28H36N4O2c11824(27(302918)1981023(342)11919)1626(33)3213562014211522(28(20)32)17311243725(21)31h8111421222528H3712131517H212H3(H2930)
MFCD31751713
ZINC000225424532
ZINC000252514329
Check stock
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