Vitas-M small molecule compound
(1S,5S)-3-({3-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-1-yl}methyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL562913
SMILES O=C(N1CCCCCC1)Cc1cn(c2c1cccc2)CN1C[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 C28H34N4O2 MW 458.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O2/c33-27-11-7-10-25-23-14-21(17-32(25)27)16-29(18-23)20-31-19-22(24-8-3-4-9-26(24)31)15-28(34)30-12-5-1-2-6-13-30/h3-4,7-11,19,21,23H,1-2,5-6,12-18,20H2/t21-,23+/m0/s1InChIKey
QQGAORAAWOGFMB-JTHBVZDNSA-NSynonyms
(1R5S)3((3(2(azepan1yl)2oxoethyl)1Hindol1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1R9S)11((3(2(azepan1yl)2oxoethyl)indol1yl)methyl)711diazatricyclo(731027)trideca24dien6one
(1S5S)3((3(2(azepan1yl)2oxoethyl)1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
99981073
InChI=1SC28H34N4O2c33271171025231421(1732(25)27)1629(1823)20311922(24834926(24)31)1528(34)301251261330h34711192123H1256121820H2t2123+m0s1
MFCD32651373
O=C(N1CCCCCC1)Cc1cn(c2c1cccc2)CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000100788964
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