Vitas-M small molecule compound

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

Catalog ID
STK149762
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cccs1)c1ccc(cc1)C(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 C27H28N2OS MW 428.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2OS/c1-27(2,3)19-12-10-17(11-13-19)18-15-22-25(23(30)16-18)26(24-9-6-14-31-24)29-21-8-5-4-7-20(21)28-22/h4-14,18,26,28-29H,15-16H2,1-3H3
InChIKey
MJCMKTPAJJWGSN-UHFFFAOYSA-N
Synonyms

3(4(TERTBUTYL)PHENYL)11(2THIENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CS5)C(=O)C2
InChI=1SC27H28N2OSc127(23)19121017(111319)18152225(23(30)1618)26(2496143124)2921854720(21)2822h41418262829H1516H213H3
MFCD03613098
ZINC000001413008
ZINC000001413011

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Available files

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