Vitas-M small molecule compound
4-[(6R,6aR,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)-ylcarbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
Catalog ID
STL547158
SMILES COc1cc(OC)ccc1N1CC(CC1=O)C(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C28H37N3O4 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O4/c1-34-22-8-9-24(25(15-22)35-2)31-17-21(14-26(31)32)28(33)30-11-5-6-18-12-19-13-20(27(18)30)16-29-10-4-3-7-23(19)29/h8-9,12,15,19-21,23,27H,3-7,10-11,13-14,16-17H2,1-2H3/t19-,20+,21?,23+,27+/m0/s1InChIKey
OOVZXFXYDUXOGW-ZRXOBZEESA-NSynonyms
1(24dimethoxyphenyl)4((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)pyrrolidin2one
4((6R6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)1(24dimethoxyphenyl)pyrrolidin2one
COc1cc(OC)ccc1N1C(C@H)(CC1=O)C(=O)N1CCCC2=C(C@H)3C(C@@H)((C@@H)12)CN1CCCC(C@@H)31
InChI=1SC28H37N3O4c134228924(25(1522)352)311721(1426(31)32)28(33)3011561812191320(27(18)30)16291043723(19)29h89121519212327H37101113141617H212H3t1920+21?23+27+m0s1
ZINC000257199002
ZINC001547138107
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