Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-3-[4-bromo-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK457025
SMILES S=C(Nc1nn(cc1Br)Cc1ccc(cc1Cl)Cl)Nc1ccc2c(c1)OCO2
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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 C18H13BrCl2N4O2S MW 500.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrCl2N4O2S/c19-13-8-25(7-10-1-2-11(20)5-14(10)21)24-17(13)23-18(28)22-12-3-4-15-16(6-12)27-9-26-15/h1-6,8H,7,9H2,(H2,22,23,24,28)InChIKey
GOGCRADDOBHRFX-UHFFFAOYSA-NSynonyms
(2HBENZO(34D)13DIOXOLAN5YLAMINO)((1((24DICHLOROPHENYL)METHYL)4BROMOPYRAZOL3YL)AMINO)METHANE1THIONE
1(13BENZODIOXOL5YL)3(4BROMO1((24DICHLOROPHENYL)METHYL)PYRAZOL3YL)THIOUREA
1(13benzodioxol5yl)3(4bromo1(24dichlorobenzyl)1Hpyrazol3yl)thiourea
C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NN(C=C3Br)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC18H13BrCl2N4O2Sc1913825(7101211(20)514(10)21)2417(13)2318(28)2212341516(612)2792615h168H79H2(H222232428)
MFCD04129391
ZINC000002859083
ZINC02859083
ZINC2859083
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