Vitas-M small molecule compound
3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Catalog ID
STL522541
SMILES COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C26H29N3O6 MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O6/c1-32-22-12-19-5-6-29(25(30)14-20(19)13-23(22)33-2)16-26(31)28-9-7-27(8-10-28)15-18-3-4-21-24(11-18)35-17-34-21/h3-6,11-13H,7-10,14-17H2,1-2H3InChIKey
NHQBBLDKRQYEHQ-UHFFFAOYSA-NSynonyms
3(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)78dimethoxy1~(H)3benzazepin2one
3(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)78dimethoxy13dihydro2H3benzazepin2one
3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2oxoethyl)78dimethoxy1Hbenzo(d)azepin2(3H)onehydrochloride
71825505
COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2Cl
InChI=1SC26H29N3O6c1322212195629(25(30)1420(19)1323(22)332)1626(31)289727(81028)1518342124(1118)35173421h361113H7101417H212H3
MFCD31752586
ZINC000096116517
ZINC96116517
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