Vitas-M small molecule compound
(2Z)-N-phenyl-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanethioamide
Catalog ID
STK578295
SMILES S=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)Nc1ccccc1
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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 C20H20N2O2S MW 352.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O2S/c25-20(22-15-5-2-1-3-6-15)13-17-16-12-19-18(23-9-4-10-24-19)11-14(16)7-8-21-17/h1-3,5-6,11-13,21H,4,7-10H2,(H,22,25)/b17-13-InChIKey
MIEGXLDXJMMQFI-LGMDPLHJSA-NSynonyms
883951-41-5(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)Nphenylethanethioamide
(2Z)Nphenyl2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanethioamide
(Z)Nphenyl2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanethioamide
883951415
C1COC2=C(C=C3C(=C2)CCNC3=CC(=S)NC4=CC=CC=C4)OC1
InChI=1SC20H20N2O2Sc2520(22155213615)131716121918(2394102419)1114(16)782117h1356111321H4710H2(H2225)b1713
MFCD07638705
S=C(C=C1NCCc2c1cc1OCCCOc1c2)Nc1ccccc1
ZINC000101371405
ZINC101371405
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