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-(2-methoxyphenyl)-1H-pyrazol-3-yl]methanone
Catalog ID
STL543373
SMILES COc1ccccc1c1[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 C26H32N4O2 MW 432.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O2/c1-32-24-10-3-2-8-20(24)21-15-22(28-27-21)26(31)30-12-6-7-17-13-18-14-19(25(17)30)16-29-11-5-4-9-23(18)29/h2-3,8,10,13,15,18-19,23,25H,4-7,9,11-12,14,16H2,1H3,(H,27,28)/t18-,19+,23?,25?/m0/s1InChIKey
PTXIOAJNXSNJKH-NMTNEPLBSA-NSynonyms
((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)(3(2methoxyphenyl)1Hpyrazol5yl)methanone
(6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(5(2methoxyphenyl)1Hpyrazol3yl)methanone
COc1ccccc1c1n(nH)c(c1)C(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC26H32N4O2c132241032820(24)211522(282721)26(31)3012671713181419(25(17)30)16291154923(18)29h23810131518192325H47911121416H21H3(H2728)t1819+23?25?m0s1
ZINC000225411931
ZINC000252516058
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