Vitas-M small molecule compound
11-(4-chloro-3-fluorophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK018615
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(c(c1)F)Cl)c1cccs1
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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 C23H18ClFN2OS MW 424.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClFN2OS/c24-15-8-7-13(10-16(15)25)23-22-19(26-17-4-1-2-5-18(17)27-23)11-14(12-20(22)28)21-6-3-9-29-21/h1-10,14,23,26-27H,11-12H2InChIKey
KVRURICHFJRLLN-UHFFFAOYSA-NSynonyms
11(4chloro3fluorophenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4chloro3fluorophenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=C(C=C4)Cl)F)C5=CC=CS5
InChI=1SC23H18ClFN2OSc24158713(1016(15)25)232219(2617412518(17)2723)1114(1220(22)28)216392921h11014232627H1112H2
MFCD03489144
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(c(c1)F)Cl)c1cccs1
STK018615
ZINC000006475038
ZINC000006475048
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