Vitas-M small molecule compound
(2Z)-1-(3-chlorophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK595606
SMILES Clc1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C20H18ClNO3 MW 355.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO3/c21-15-4-1-3-14(9-15)18(23)12-17-16-11-20-19(24-7-2-8-25-20)10-13(16)5-6-22-17/h1,3-4,9-12,22H,2,5-8H2/b17-12-InChIKey
FQNTUNXXOHNNQC-ATVHPVEESA-NSynonyms
(2Z)1(3chlorophenyl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)ethanone
(2Z)1(3chlorophenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(E)1(3chlorophenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC(=CC=C4)Cl)OC1
Clc1cccc(c1)C(=O)C=C1NCCc2c1cc1OCCCOc1c2
InChI=1SC20H18ClNO3c211541314(915)18(23)121716112019(247282520)1013(16)562217h13491222H258H2b1712
MFCD08166765
ZINC000005389215
ZINC5389215
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