Vitas-M small molecule compound

11-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK043316
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(s1)CC

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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 C26H26N2O2S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O2S/c1-3-19-12-13-24(31-19)26-25-22(27-20-6-4-5-7-21(20)28-26)14-17(15-23(25)29)16-8-10-18(30-2)11-9-16/h4-13,17,26-28H,3,14-15H2,1-2H3
InChIKey
PZWAYNKZLXUSCB-UHFFFAOYSA-N
Synonyms

11(5ETHYL(2THIENYL))3(4METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(5ethylthiophen2yl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(5ethylthiophen2yl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(s1)CC
InChI=1SC26H26N2O2Sc1319121324(3119)262522(2720645721(20)2826)1417(1523(25)29)1681018(302)11916h413172628H31415H212H3
MFCD02104988
STK043316
ZINC000000883349
ZINC000004083617

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Available files

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