Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK447030
SMILES S=C(Nc1ccn(n1)Cc1ccc(cc1)C)Nc1ccc2c(c1)OCCO2
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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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c1-14-2-4-15(5-3-14)13-24-9-8-19(23-24)22-20(27)21-16-6-7-17-18(12-16)26-11-10-25-17/h2-9,12H,10-11,13H2,1H3,(H2,21,22,23,27)InChIKey
JHKXOWROTFKCPU-UHFFFAOYSA-NSynonyms
(2H3HBENZO(34E)14DIOXIN6YLAMINO)((1((4METHYLPHENYL)METHYL)PYRAZOL3YL)AMINO)METHANE1THIONE
1(23dihydro14benzodioxin6yl)3(1((4methylphenyl)methyl)pyrazol3yl)thiourea
1(23dihydro14benzodioxin6yl)3(1(4methylbenzyl)1Hpyrazol3yl)thiourea
CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC20H20N4O2Sc1142415(5314)13249819(2324)2220(27)2116671718(1216)2611102517h2912H101113H21H3(H221222327)
MFCD04059184
ZINC000006400797
ZINC06400797
ZINC6400797
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