Vitas-M small molecule compound

N-phenyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide

Catalog ID
STK594513
SMILES S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)Nc1ccccc1

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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 C19H20N2O2S MW 340.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O2S/c24-19(20-16-5-2-1-3-6-16)21-8-7-14-11-17-18(12-15(14)13-21)23-10-4-9-22-17/h1-3,5-6,11-12H,4,7-10,13H2,(H,20,24)
InChIKey
IFQGFWQNIFWQNF-UHFFFAOYSA-N
Synonyms
883960-45-0
883960450
C1COC2=C(C=C3CN(CCC3=C2)C(=S)NC4=CC=CC=C4)OC1
InChI=1SC19H20N2O2Sc2419(20165213616)218714111718(1215(14)1321)2310492217h13561112H471013H2(H2024)
MFCD06791693
Nphenyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
Nphenyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005348468
ZINC05348468
ZINC5348468

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.