Vitas-M small molecule compound
11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK025870
SMILES COc1ccc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CCC2
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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-25-18-11-10-13(12-19(18)26-2)21-20-16(8-5-9-17(20)24)22-14-6-3-4-7-15(14)23-21/h3-4,6-7,10-12,21-23H,5,8-9H2,1-2H3InChIKey
FBKRCOGMORAUHG-UHFFFAOYSA-NSynonyms
11(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4N2)OC
COc1ccc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CCC2
InChI=1SC21H22N2O3c12518111013(1219(18)262)212016(85917(20)24)2214634715(14)2321h346710122123H589H212H3
MFCD02640954
STK025870
ZINC000001170097
ZINC000001170098
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