Vitas-M small molecule compound
11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK956937
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1Br
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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 C22H21BrN2O3 MW 441.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3/c1-22(2)9-16-20(17(26)10-22)21(25-15-6-4-3-5-14(15)24-16)12-7-18-19(8-13(12)23)28-11-27-18/h3-8,21,24-25H,9-11H2,1-2H3InChIKey
LBXRTSABDOEHLK-UHFFFAOYSA-NSynonyms
362622-07-911(6bromo13benzodioxol5yl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(6bromobenzo(d)(13)dioxol5yl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
362622079
6(6bromo13benzodioxol5yl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4Br)OCO5)C(=O)C1)C
InChI=1SC22H21BrN2O3c122(2)91620(17(26)1022)21(2515643514(15)2416)1271819(813(12)23)28112718h38212425H911H212H3
MFCD00813249
ZINC000000756485
ZINC000000756486
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