Vitas-M small molecule compound
5-[(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]-2-(3-fluorophenyl)-1,3-oxazole-4-carbonitrile
Catalog ID
STL535990
SMILES N#Cc1nc(oc1N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)c1cccc(c1)F
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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 C25H27FN4O MW 418.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O/c26-20-7-3-5-17(13-20)24-28-21(14-27)25(31-24)30-10-4-6-16-11-18-12-19(23(16)30)15-29-9-2-1-8-22(18)29/h3,5,7,11,13,18-19,22-23H,1-2,4,6,8-10,12,15H2/t18-,19+,22+,23+/m0/s1InChIKey
OIWQJGPNXMRMRG-TWRVUUBYSA-NSynonyms
1212092-12-01212092120
45490694
5((1~(R)2~(S)9~(R)10~(R))315diazatetracyclo(7710^(27)0^(1015))heptadec7en3yl)2(3fluorophenyl)13oxazole4carbonitrile
5((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2(3fluorophenyl)oxazole4carbonitrile
5((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2(3fluorophenyl)13oxazole4carbonitrile
InChI=1SC25H27FN4Oc262073517(1320)242821(1427)25(3124)3010461611181219(23(16)30)1529921822(18)29h357111318192223H12468101215H2t1819+22+23+m0s1
N#Cc1nc(oc1N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)c1cccc(c1)F
ZINC000036370076
ZINC36370076
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