Vitas-M small molecule compound

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

Catalog ID
STK592213
SMILES CNC(=S)N1CCc2c(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 C14H18N2O2S MW 278.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O2S/c1-15-14(19)16-4-3-10-7-12-13(8-11(10)9-16)18-6-2-5-17-12/h7-8H,2-6,9H2,1H3,(H,15,19)
InChIKey
VJZAPXKDOSXTNQ-UHFFFAOYSA-N
Synonyms
883959-67-9
883959679
CNC(=S)N1CCC2=CC3=C(C=C2C1)OCCCO3
InChI=1SC14H18N2O2Sc11514(19)16431071213(811(10)916)186251712h78H269H21H3(H1519)
MFCD06787750
Nmethyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
Nmethyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005346343
ZINC05346343
ZINC5346343

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Available files

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