Vitas-M small molecule compound
N-(prop-2-en-1-yl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK593805
SMILES C=CCNC(=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 C16H20N2O2S MW 304.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O2S/c1-2-5-17-16(21)18-6-4-12-9-14-15(10-13(12)11-18)20-8-3-7-19-14/h2,9-10H,1,3-8,11H2,(H,17,21)InChIKey
XMQNSUJUFYLAMM-UHFFFAOYSA-NSynonyms
883961-01-1883961011
C=CCNC(=S)N1CCC2=CC3=C(C=C2C1)OCCCO3
InChI=1SC16H20N2O2Sc1251716(21)18641291415(1013(12)1118)208371914h2910H13811H2(H1721)
MFCD06789078
N(prop2en1yl)34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
Nallyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
Nprop2enyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
ZINC000005346995
ZINC05346995
ZINC5346995
Check stock
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Check stock on Vitas-MAvailable files
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