Vitas-M small molecule compound
1-[(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)-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
Catalog ID
STL548485
SMILES COc1cc(CCC(=O)N2CCCC3=C[C@@H]4C[C@H](C23)CN2CCCCC42)ccc1OC
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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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-30-23-10-8-18(14-24(23)31-2)9-11-25(29)28-13-5-6-19-15-20-16-21(26(19)28)17-27-12-4-3-7-22(20)27/h8,10,14-15,20-22,26H,3-7,9,11-13,16-17H2,1-2H3/t20-,21+,22?,26?/m0/s1InChIKey
CDPDJSWPHRTENH-HCCBJNIWSA-NSynonyms
1((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(34dimethoxyphenyl)propan1one
3(34dimethoxyphenyl)1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)propan1one
COc1cc(CCC(=O)N2CCCC3=C(C@H)4C(C@@H)(C23)CN2CCCCC42)ccc1OC
InChI=1SC26H36N2O3c1302310818(1424(23)312)91125(29)2813561915201621(26(19)28)17271243722(20)27h8101415202226H37911131617H212H3t2021+22?26?m0s1
ZINC000253398422
ZINC000253398433
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