Vitas-M small molecule compound
1-[(6R,13S)-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]-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
Catalog ID
STL578948
SMILES COc1cc(ccc1OC)c1noc(n1)CCC(=O)N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31
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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 C28H36N4O4 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O4/c1-34-23-9-8-19(16-24(23)35-2)28-29-25(36-30-28)10-11-26(33)32-13-5-6-18-14-20-15-21(27(18)32)17-31-12-4-3-7-22(20)31/h8-9,14,16,20-22,27H,3-7,10-13,15,17H2,1-2H3/t20-,21+,22?,27?/m0/s1InChIKey
UJEAERFSSRIHIJ-CIMDRLKLSA-NSynonyms
1((6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(3(34dimethoxyphenyl)124oxadiazol5yl)propan1one
3(3(34dimethoxyphenyl)124oxadiazol5yl)1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)propan1one
COc1cc(ccc1OC)c1noc(n1)CCC(=O)N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31
InChI=1SC28H36N4O4c134239819(1624(23)352)282925(363028)101126(33)3213561814201521(27(18)32)17311243722(20)31h891416202227H3710131517H212H3t2021+22?27?m0s1
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