Vitas-M small molecule compound
N-(furan-2-ylmethyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK595599
SMILES S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)NCc1ccco1
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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 C18H20N2O3S MW 344.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O3S/c24-18(19-11-15-3-1-6-21-15)20-5-4-13-9-16-17(10-14(13)12-20)23-8-2-7-22-16/h1,3,6,9-10H,2,4-5,7-8,11-12H2,(H,19,24)InChIKey
WLDSYWKQBTXYDZ-UHFFFAOYSA-NSynonyms
883960-79-0883960790
C1COC2=C(C=C3CN(CCC3=C2)C(=S)NCC4=CC=CO4)OC1
InChI=1SC18H20N2O3Sc2418(1911153162115)20541391617(1014(13)1220)238272216h136910H245781112H2(H1924)
MFCD06792808
N(furan2ylmethyl)2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
N(furan2ylmethyl)34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005349119
ZINC05349119
ZINC5349119
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