Vitas-M small molecule compound

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

Catalog ID
STK579859
SMILES CCCCNC(=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 C17H24N2O2S MW 320.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O2S/c1-2-3-6-18-17(22)19-7-5-13-10-15-16(11-14(13)12-19)21-9-4-8-20-15/h10-11H,2-9,12H2,1H3,(H,18,22)
InChIKey
UKUPKEPMONIMDM-UHFFFAOYSA-N
Synonyms
883960-93-8
883960938
CCCCNC(=S)N1CCC2=CC3=C(C=C2C1)OCCCO3
InChI=1SC17H24N2O2Sc12361817(22)197513101516(1114(13)1219)219482015h1011H2912H21H3(H1822)
MFCD06787393
Nbutyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
Nbutyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005346230
ZINC05346230
ZINC5346230

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Available files

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