Vitas-M small molecule compound
11-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK028044
SMILES COc1ccc(cc1COc1ccc(cc1F)F)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 C29H28F2N2O3 MW 490.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28F2N2O3/c1-29(2)14-23-27(24(34)15-29)28(33-22-7-5-4-6-21(22)32-23)17-8-10-25(35-3)18(12-17)16-36-26-11-9-19(30)13-20(26)31/h4-13,28,32-33H,14-16H2,1-3H3InChIKey
KVWGTAFULATILC-UHFFFAOYSA-NSynonyms
11(3((24difluorophenoxy)methyl)4methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3((24difluorophenoxy)methyl)4methoxyphenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)COC5=C(C=C(C=C5)F)F)C(=O)C1)C
COc1ccc(cc1COc1ccc(cc1F)F)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C
InChI=1SC29H28F2N2O3c129(2)142327(24(34)1529)28(3322754621(22)3223)1781025(353)18(1217)16362611919(30)1320(26)31h413283233H1416H213H3
MFCD03194928
STK028044
ZINC000008753558
ZINC000008753562
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