Vitas-M small molecule compound
2-(4-methoxybenzyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Catalog ID
STL539508
SMILES COc1ccc(cc1)Cn1cc(C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)c2c(c1=O)cccc2
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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 C28H33N3O3 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3/c1-34-22-13-11-20(12-14-22)18-31-19-25(23-8-2-3-9-24(23)28(31)33)27(32)29-17-21-7-6-16-30-15-5-4-10-26(21)30/h2-3,8-9,11-14,19,21,26H,4-7,10,15-18H2,1H3,(H,29,32)/t21-,26+/m0/s1InChIKey
MWDYXKFEYGBVQJ-HFZDXXHNSA-NSynonyms
1441877-72-0~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2((4methoxyphenyl)methyl)1oxoisoquinoline4carboxamide
1441877720
2(4methoxybenzyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)1oxo12dihydroisoquinoline4carboxamide
2(4methoxybenzyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)1oxo12dihydroisoquinoline4carboxamide
71754275
COc1ccc(cc1)Cn1cc(C(=O)NC(C@@H)2CCCN3(C@@H)2CCCC3)c2c(c1=O)cccc2
InChI=1SC28H33N3O3c13422131120(121422)18311925(23823924(23)28(31)33)27(32)29172176163015541026(21)30h23891114192126H47101518H21H3(H2932)t2126+m0s1
ZINC000079192896
ZINC79192896
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