Vitas-M small molecule compound
9-methoxy-N-(4-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL539539
SMILES COc1cc(cc2c1OCCCO2)C(=O)Nc1ccc(cc1)C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-34-24-16-21(17-25-26(24)36-15-5-14-35-25)28(33)30-22-10-8-19(9-11-22)27(32)29-18-20-6-4-13-31-12-3-2-7-23(20)31/h8-11,16-17,20,23H,2-7,12-15,18H2,1H3,(H,29,32)(H,30,33)/t20-,23+/m0/s1InChIKey
DGQBBEZNTFBVLE-NZQKXSOJSA-NSynonyms
1435904-73-6~(N)(4(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylcarbamoyl)phenyl)6methoxy34dihydro2~(H)15benzodioxepine8carboxamide
1435904736
71754898
9methoxyN(4((((1S9aR)octahydro1Hquinolizin1yl)methyl)carbamoyl)phenyl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
9methoxyN(4(((1S9aR)octahydro2Hquinolizin1ylmethyl)carbamoyl)phenyl)34dihydro2H15benzodioxepine7carboxamide
COc1cc(cc2c1OCCCO2)C(=O)Nc1ccc(cc1)C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC28H35N3O5c134241621(172526(24)36155143525)28(33)302210819(91122)27(32)2918206413311232723(20)31h81116172023H27121518H21H3(H2932)(H3033)t2023+m0s1
ZINC000085877463
ZINC85877463
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