Vitas-M small molecule compound
1-[(6R,6aR,13S,13aS)-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]-4-(1H-pyrazol-1-yl)butan-1-one
Catalog ID
STL578056
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)CCCn1cccn1
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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 C22H32N4O MW 368.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O/c27-21(8-4-11-25-12-5-9-23-25)26-13-3-6-17-14-18-15-19(22(17)26)16-24-10-2-1-7-20(18)24/h5,9,12,14,18-20,22H,1-4,6-8,10-11,13,15-16H2/t18-,19+,20+,22+/m0/s1InChIKey
ZDZWVVSDEOVFDO-GPQLQYNLSA-NSynonyms
1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)4(1Hpyrazol1yl)butan1one
1((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)4(1Hpyrazol1yl)butan1one
InChI=1SC22H32N4Oc2721(84112512592325)2613361714181519(22(17)26)16241021720(18)24h591214182022H14681011131516H2t1819+20+22+m0s1
MFCD33398296
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)CCCn1cccn1
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