Vitas-M small molecule compound

1,1-dibenzyl-3-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]thiourea

Catalog ID
STK313724
SMILES Clc1ccc(c(c1)Cl)Cn1nc(c(c1C)NC(=S)N(Cc1ccccc1)Cc1ccccc1)C

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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 C27H26Cl2N4S MW 509.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N4S/c1-19-26(20(2)33(31-19)18-23-13-14-24(28)15-25(23)29)30-27(34)32(16-21-9-5-3-6-10-21)17-22-11-7-4-8-12-22/h3-15H,16-18H2,1-2H3,(H,30,34)
InChIKey
VIGIYARNOXDCSS-UHFFFAOYSA-N
Synonyms
1005685-08-4
1005685084
11dibenzyl3(1((24dichlorophenyl)methyl)35dimethylpyrazol4yl)thiourea
11dibenzyl3(1(24dichlorobenzyl)35dimethyl1Hpyrazol4yl)thiourea
CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI=1SC27H26Cl2N4Sc11926(20(2)33(3119)1823131424(28)1525(23)29)3027(34)32(162195361021)1722117481222h315H1618H212H3(H3034)
MFCD04221669
ZINC000002732954
ZINC02732954
ZINC2732954

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Available files

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