Vitas-M small molecule compound
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK028767
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccc(cc1)N(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 C30H31N3O2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O2/c1-30(2)17-25-27(26(34)18-30)28(19-10-13-22(14-11-19)33(3)4)32-23-15-12-21(16-24(23)31-25)29(35)20-8-6-5-7-9-20/h5-16,28,31-32H,17-18H2,1-4H3InChIKey
JDGYVPXJQPMSSF-UHFFFAOYSA-NSynonyms
312622-23-411(4(dimethylamino)phenyl)33dimethyl7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(4(dimethylamino)phenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
312622234
7benzoyl11(4(dimethylamino)phenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C)C(=O)C1)C
InChI=1SC30H31N3O2c130(2)172527(26(34)1830)28(19101322(141119)33(3)4)3223151221(1624(23)3125)29(35)208657920h516283132H1718H214H3
MFCD01829846
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccc(cc1)N(C)C
STK028767
ZINC000018285670
ZINC000018285674
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