Vitas-M small molecule compound

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

Catalog ID
STK584611
SMILES CCCNC(=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 C16H22N2O2S MW 306.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O2S/c1-2-5-17-16(21)18-6-4-12-9-14-15(10-13(12)11-18)20-8-3-7-19-14/h9-10H,2-8,11H2,1H3,(H,17,21)
InChIKey
AHHUYJNXVWIYNF-UHFFFAOYSA-N
Synonyms
883961-37-3
883961373
CCCNC(=S)N1CCC2=CC3=C(C=C2C1)OCCCO3
InChI=1SC16H22N2O2Sc1251716(21)18641291415(1013(12)1118)208371914h910H2811H21H3(H1721)
MFCD06789167
Npropyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
Npropyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005347043
ZINC05347043
ZINC5347043

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Available files

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