Vitas-M small molecule compound
11-(2-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK326271
SMILES COc1ccccc1C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
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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 C27H26N2O2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2/c1-17-11-13-18(14-12-17)19-15-23-26(24(30)16-19)27(20-7-3-6-10-25(20)31-2)29-22-9-5-4-8-21(22)28-23/h3-14,19,27-29H,15-16H2,1-2H3InChIKey
DMRCRSNWHYGCAU-UHFFFAOYSA-NSynonyms
11(2methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(2methoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC=C5OC)C(=O)C2
InChI=1SC27H26N2O2c117111318(141217)19152326(24(30)1619)27(207361025(20)312)2922954821(22)2823h314192729H1516H212H3
MFCD03489261
ZINC000001077285
ZINC000001077293
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