Vitas-M small molecule compound
4-[(6R)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
Catalog ID
STL549567
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2
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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 C28H35N3O4 MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O4/c32-26-14-21(17-31(26)22-6-7-24-25(15-22)35-11-10-34-24)28(33)30-9-3-4-18-12-19-13-20(27(18)30)16-29-8-2-1-5-23(19)29/h6-7,12,15,19-21,23,27H,1-5,8-11,13-14,16-17H2/t19-,20+,21?,23?,27?/m0/s1InChIKey
XAGAHPKCMOAIGT-WGYQJFNSSA-NSynonyms
1(23dihydrobenzo(b)(14)dioxin6yl)4((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)pyrrolidin2one
4((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)1(23dihydro14benzodioxin6yl)pyrrolidin2one
InChI=1SC28H35N3O4c32261421(1731(26)22672425(1522)3511103424)28(33)309341812191320(27(18)30)1629821523(19)29h67121519212327H1581113141617H2t1920+21?23?27?m0s1
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@@H)12)CN1CCCC(C@H)31)(C@@H)1CC(=O)N(C1)c1ccc2c(c1)OCCO2
ZINC000888088096
ZINC000888088099
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