Vitas-M small molecule compound
N-(3-bromophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Catalog ID
STK587267
SMILES O=C(Nc1cccc(c1)Br)CN1CCc2c(C1)cc1c(c2)OCCCO1
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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 C20H21BrN2O3 MW 417.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O3/c21-16-3-1-4-17(11-16)22-20(24)13-23-6-5-14-9-18-19(10-15(14)12-23)26-8-2-7-25-18/h1,3-4,9-11H,2,5-8,12-13H2,(H,22,24)InChIKey
LGEVSBVTJAFGCH-UHFFFAOYSA-NSynonyms
902033-63-0902033630
C1COC2=C(C=C3CN(CCC3=C2)CC(=O)NC4=CC(=CC=C4)Br)OC1
InChI=1SC20H21BrN2O3c211631417(1116)2220(24)1323651491819(1015(14)1223)268272518h134911H2581213H2(H2224)
MFCD06784237
N(3bromophenyl)2(2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)acetamide
N(3bromophenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)acetamide
ZINC000005345279
ZINC5345279
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