Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-10-(2-methylpropanoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK025441
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C(C)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 C29H30N2O4S MW 502.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4S/c1-17(2)29(33)31-22-9-6-5-8-20(22)30-21-14-19(18-11-12-24(34-3)25(16-18)35-4)15-23(32)27(21)28(31)26-10-7-13-36-26/h5-13,16-17,19,28,30H,14-15H2,1-4H3InChIKey
YIEXZJKFOWCLTR-UHFFFAOYSA-NSynonyms
523992-76-93(34DIMETHOXYPHENYL)10(2METHYLPROPANOYL)11(2THIENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(34dimethoxyphenyl)10(2methylpropanoyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34dimethoxyphenyl)10isobutyryl11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992769
9(34dimethoxyphenyl)5(2methylpropanoyl)6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)C(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=CS5
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C(C)C
InChI=1SC29H30N2O4Sc117(2)29(33)3122965820(22)30211419(18111224(343)25(1618)354)1523(32)27(21)28(31)26107133626h5131617192830H1415H214H3
MFCD03488984
STK025441
ZINC000018284658
ZINC000018284670
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.