Vitas-M small molecule compound
4-(2,4-dichlorophenoxy)-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)butan-1-one
Catalog ID
STK599602
SMILES Clc1ccc(c(c1)Cl)OCCCC(=O)N1CCc2c(C1C)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 C23H25Cl2NO4 MW 450.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25Cl2NO4/c1-15-18-14-22-21(29-10-3-11-30-22)12-16(18)7-8-26(15)23(27)4-2-9-28-20-6-5-17(24)13-19(20)25/h5-6,12-15H,2-4,7-11H2,1H3InChIKey
CCWYFVQLAPAIJS-UHFFFAOYSA-NSynonyms
898922-66-24(24dichlorophenoxy)1(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)butan1one
4(24dichlorophenoxy)1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)butan1one
898922662
CC1C2=CC3=C(C=C2CCN1C(=O)CCCOC4=C(C=C(C=C4)Cl)Cl)OCCCO3
InChI=1SC23H25Cl2NO4c11518142221(29103113022)1216(18)7826(15)23(27)42928206517(24)1319(20)25h561215H24711H21H3
MFCD07641096
ZINC000009129767
ZINC000009129768
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