Vitas-M small molecule compound

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

Catalog ID
STK139311
SMILES Ic1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(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 C21H21IN2O MW 444.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21IN2O/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(22)10-13)24-16-9-4-3-8-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3
InChIKey
MYEIBTIZYYFAFE-UHFFFAOYSA-N
Synonyms
371923-00-1
11(3iodophenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
371923001
6(3iodophenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)I)C(=O)C1)C
InChI=1SC21H21IN2Oc121(2)111719(18(25)1221)20(1365714(22)1013)2416943815(16)2317h310202324H1112H212H3
MFCD01471412
ZINC000018250040
ZINC000018250042

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Available files

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