Vitas-M small molecule compound
3-(2-chlorophenyl)-11-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403202
SMILES COc1cc(ccc1O)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1Cl
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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 C26H23ClN2O3 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O3/c1-32-24-14-15(10-11-22(24)30)26-25-21(28-19-8-4-5-9-20(19)29-26)12-16(13-23(25)31)17-6-2-3-7-18(17)27/h2-11,14,16,26,28-30H,12-13H2,1H3InChIKey
ALLHTRHSEXYSHK-UHFFFAOYSA-NSynonyms
3(2chlorophenyl)11(4hydroxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(2chlorophenyl)6(4hydroxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4Cl)NC5=CC=CC=C5N2)O
InChI=1SC26H23ClN2O3c132241415(101122(24)30)262521(2819845920(19)2926)1216(1323(25)31)17623718(17)27h2111416262830H1213H21H3
MFCD03307936
ZINC000000720494
ZINC000000720497
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