Vitas-M small molecule compound
3-(2-chlorophenyl)-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403493
SMILES COc1ccc(cc1OC)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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-32-24-12-11-16(15-25(24)33-2)27-26-22(29-20-9-5-6-10-21(20)30-27)13-17(14-23(26)31)18-7-3-4-8-19(18)28/h3-12,15,17,27,29-30H,13-14H2,1-2H3InChIKey
HHDCFKXDXPHTSW-UHFFFAOYSA-NSynonyms
3(2chlorophenyl)11(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(2chlorophenyl)6(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4Cl)NC5=CC=CC=C5N2)OC
InChI=1SC27H25ClN2O3c13224121116(1525(24)332)272622(29209561021(20)3027)1317(1423(26)31)18734819(18)28h3121517272930H1314H212H3
MFCD03489345
ZINC000001077524
ZINC000001077531
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