Vitas-M small molecule compound
11-(naphthalen-1-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403351
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cccc2c1cccc2)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 C27H22N2OS MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2OS/c30-24-16-18(25-13-6-14-31-25)15-23-26(24)27(29-22-12-4-3-11-21(22)28-23)20-10-5-8-17-7-1-2-9-19(17)20/h1-14,18,27-29H,15-16H2InChIKey
UZEZRWTXYALUAT-UHFFFAOYSA-NSynonyms
11(naphthalen1yl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6naphthalen1yl9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=CC5=CC=CC=C54)C6=CC=CS6
InChI=1SC27H22N2OSc30241618(25136143125)152326(24)27(292212431121(22)2823)20105817712919(17)20h114182729H1516H2
MFCD03489169
ZINC000001076942
ZINC000001076952
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