Vitas-M small molecule compound

N-(4-methyl-2-oxo-2H-chromen-7-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide

Catalog ID
STK443068
SMILES S=C(N1CCc2c(C1)cccc2)Nc1ccc2c(c1)oc(=O)cc2C

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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 C20H18N2O2S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2S/c1-13-10-19(23)24-18-11-16(6-7-17(13)18)21-20(25)22-9-8-14-4-2-3-5-15(14)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)
InChIKey
DOGQIKVHAPSNNU-UHFFFAOYSA-N
Synonyms

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCC4=CC=CC=C4C3
InChI=1SC20H18N2O2Sc1131019(23)24181116(6717(13)18)2120(25)229814423515(14)1222h271011H8912H21H3(H2125)
MFCD04054589
N(4methyl2oxo2Hchromen7yl)34dihydroisoquinoline2(1H)carbothioamide
N(4METHYL2OXOCHROMEN7YL)34DIHYDRO1HISOQUINOLINE2CARBOTHIOAMIDE
ZINC000001117839
ZINC01117839
ZINC1117839

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.