Vitas-M small molecule compound
3-(4-methylphenyl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403404
SMILES CSc1ccc(cc1)C1Nc2ccccc2NC2=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 C27H26N2OS MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2OS/c1-17-7-9-18(10-8-17)20-15-24-26(25(30)16-20)27(19-11-13-21(31-2)14-12-19)29-23-6-4-3-5-22(23)28-24/h3-14,20,27-29H,15-16H2,1-2H3InChIKey
RBQJCXIQDJZMJG-UHFFFAOYSA-NSynonyms
3(4methylphenyl)11(4(methylsulfanyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methylphenyl)6(4methylsulfanylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)SC)C(=O)C2
InChI=1SC27H26N2OSc1177918(10817)20152426(25(30)1620)27(19111321(312)141219)2923643522(23)2824h314202729H1516H212H3
MFCD03489229
ZINC000001077205
ZINC000001077211
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