Vitas-M small molecule compound
3,3,7,8-tetramethyl-11-(3-phenoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK025670
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1cccc(c1)Oc1ccccc1
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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 C29H30N2O2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O2/c1-18-13-23-24(14-19(18)2)31-28(27-25(30-23)16-29(3,4)17-26(27)32)20-9-8-12-22(15-20)33-21-10-6-5-7-11-21/h5-15,28,30-31H,16-17H2,1-4H3InChIKey
WWSSKWKAQOULIF-UHFFFAOYSA-NSynonyms
330958-07-12399tetramethyl6(3phenoxyphenyl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
330958071
3378tetramethyl11(3phenoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)CC(C3)(C)C
InChI=1SC29H30N2O2c118132324(1419(18)2)3128(2725(3023)1629(34)1726(27)32)20981222(1520)3321106571121h515283031H1617H214H3
MFCD01655321
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1cccc(c1)Oc1ccccc1
STK025670
ZINC000018284763
ZINC000018284767
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