Vitas-M small molecule compound

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

Catalog ID
STK044462
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc2c(c1)cccc2)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/c30-24-16-20(25-10-5-13-31-25)15-23-26(24)27(29-22-9-4-3-8-21(22)28-23)19-12-11-17-6-1-2-7-18(17)14-19/h1-14,20,27-29H,15-16H2
InChIKey
CVMSTRYYZJICQN-UHFFFAOYSA-N
Synonyms

11(naphthalen2yl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6naphthalen2yl9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=CC=CC=C5C=C4)C6=CC=CS6
InChI=1SC27H22N2OSc30241620(25105133125)152326(24)27(2922943821(22)2823)19121117612718(17)1419h114202729H1516H2
MFCD03489176
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc2c(c1)cccc2)c1cccs1
STK044462
ZINC000000729675
ZINC000000729678

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Available files

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