Vitas-M small molecule compound
(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[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]methanone
Catalog ID
STL545250
SMILES COc1cc(ccc1OC)c1[nH]nc(c1)C(=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 C27H34N4O3 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O3/c1-33-24-9-8-17(14-25(24)34-2)21-15-22(29-28-21)27(32)31-11-5-6-18-12-19-13-20(26(18)31)16-30-10-4-3-7-23(19)30/h8-9,12,14-15,19-20,23,26H,3-7,10-11,13,16H2,1-2H3,(H,28,29)/t19-,20+,23?,26?/m0/s1InChIKey
FFHQGVJBUURWIH-INMHAQSWSA-NSynonyms
(3(34dimethoxyphenyl)1Hpyrazol5yl)((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methanone
(6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(5(34dimethoxyphenyl)1Hpyrazol3yl)methanone
COc1cc(ccc1OC)c1n(nH)c(c1)C(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC27H34N4O3c133249817(1425(24)342)211522(292821)27(32)3111561812191320(26(18)31)16301043723(19)30h8912141519202326H3710111316H212H3(H2829)t1920+23?26?m0s1
ZINC000225429012
ZINC000252514926
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