Vitas-M small molecule compound

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

Catalog ID
STK004901
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)N(C(=O)c1ccccc1)c1c(N2)cccc1

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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 C29H26N2O4 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4/c1-29(2)15-21-26(23(32)16-29)27(19-12-13-24-25(14-19)35-17-34-24)31(22-11-7-6-10-20(22)30-21)28(33)18-8-4-3-5-9-18/h3-14,27,30H,15-17H2,1-2H3
InChIKey
CKWZSLLEWVTVIS-UHFFFAOYSA-N
Synonyms
312621-13-9
11(13benzodioxol5yl)33dimethyl10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2HBENZO(34D)13DIOXOLEN5YL)33DIMETHYL10(PHENYLCARBONYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(benzo(d)(13)dioxol5yl)10benzoyl33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312621139
6(13benzodioxol5yl)5benzoyl99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC29H26N2O4c129(2)152126(23(32)1629)27(1912132425(1419)35173424)31(2211761020(22)3021)28(33)188435918h3142730H1517H212H3
MFCD01210520
O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)N(C(=O)c1ccccc1)c1c(N2)cccc1
STK004901
ZINC000008972015
ZINC000008972017

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Available files

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