Vitas-M small molecule compound
2-(2,4-dichlorophenoxy)-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)propan-1-one
Catalog ID
STK584244
SMILES Clc1ccc(c(c1)Cl)OC(C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)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 C22H23Cl2NO4 MW 436.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO4/c1-13-17-12-21-20(27-8-3-9-28-21)10-15(17)6-7-25(13)22(26)14(2)29-19-5-4-16(23)11-18(19)24/h4-5,10-14H,3,6-9H2,1-2H3InChIKey
NPPGSPFNOVZZNR-UHFFFAOYSA-NSynonyms
879770-04-42(24dichlorophenoxy)1(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)propan1one
2(24dichlorophenoxy)1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)propan1one
879770044
CC1C2=CC3=C(C=C2CCN1C(=O)C(C)OC4=C(C=C(C=C4)Cl)Cl)OCCCO3
InChI=1SC22H23Cl2NO4c11317122120(278392821)1015(17)6725(13)22(26)14(2)29195416(23)1118(19)24h451014H369H212H3
MFCD07639220
ZINC000008995675
ZINC000013591094
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