Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]thiourea
Catalog ID
STK447330
SMILES S=C(Nc1ccc2c(c1)OCCO2)NCc1cn(nc1c1ccccc1)c1ccccc1
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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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c32-25(27-20-11-12-22-23(15-20)31-14-13-30-22)26-16-19-17-29(21-9-5-2-6-10-21)28-24(19)18-7-3-1-4-8-18/h1-12,15,17H,13-14,16H2,(H2,26,27,32)InChIKey
PDFKZQUADXJAOC-UHFFFAOYSA-NSynonyms
(2H3HBENZO(34E)14DIOXIN6YLAMINO)(((13DIPHENYLPYRAZOL4YL)METHYL)AMINO)METHANE1THIONE
1(23dihydro14benzodioxin6yl)3((13diphenyl1Hpyrazol4yl)methyl)thiourea
1(23dihydro14benzodioxin6yl)3((13diphenylpyrazol4yl)methyl)thiourea
C1COC2=C(O1)C=CC(=C2)NC(=S)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC25H22N4O2Sc3225(272011122223(1520)3114133022)2616191729(2195261021)2824(19)187314818h1121517H131416H2(H2262732)
MFCD04059990
ZINC000017452083
ZINC17452083
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