Vitas-M small molecule compound

(2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-(2-phenylethyl)ethanethioamide

Catalog ID
STL042972
SMILES S=C(/C=C/1\NCCc2c1cc1OCOc1c2)NCCc1ccccc1

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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(22-8-6-14-4-2-1-3-5-14)12-17-16-11-19-18(23-13-24-19)10-15(16)7-9-21-17/h1-5,10-12,21H,6-9,13H2,(H,22,25)/b17-12-
InChIKey
DXADXJUBGJQAOP-ATVHPVEESA-N
Synonyms
898920-11-1
(2Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)N(2phenylethyl)ethanethioamide
(2Z)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)N(2phenylethyl)ethanethioamide
(Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)Nphenethylethanethioamide
898920111
C1CNC(=CC(=S)NCCC2=CC=CC=C2)C3=CC4=C(C=C31)OCO4
InChI=1SC20H20N2O2Sc2520(2286144213514)121716111918(23132419)1015(16)792117h15101221H6913H2(H2225)b1712
MFCD07638192
S=C(C=C1NCCc2c1cc1OCOc1c2)NCCc1ccccc1
ZINC000101368094
ZINC101368094

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Available files

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