Vitas-M small molecule compound

4-({[1-(4-bromobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-N-(pyrimidin-2-yl)benzenesulfonamide

Catalog ID
STK458631
SMILES S=C(Nc1cnn(c1)Cc1ccc(cc1)Br)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

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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 C21H18BrN7O2S2 MW 544.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN7O2S2/c22-16-4-2-15(3-5-16)13-29-14-18(12-25-29)27-21(32)26-17-6-8-19(9-7-17)33(30,31)28-20-23-10-1-11-24-20/h1-12,14H,13H2,(H,23,24,28)(H2,26,27,32)
InChIKey
YVKWWVAKKHMGJH-UHFFFAOYSA-N
Synonyms

((4((((1((4BROMOPHENYL)METHYL)PYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)PHENYL)SULFONYL)PYRIMIDIN2YLAMINE
1(1((4BROMOPHENYL)METHYL)PYRAZOL4YL)3(4(PYRIMIDIN2YLSULFAMOYL)PHENYL)THIOUREA
4(((1(4bromobenzyl)1Hpyrazol4yl)carbamothioyl)amino)N(pyrimidin2yl)benzenesulfonamide
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)Br
InChI=1SC21H18BrN7O2S2c22164215(3516)13291418(122529)2721(32)26176819(9717)33(3031)282023101112420h11214H13H2(H232428)(H2262732)
MFCD04137367
ZINC000002853791
ZINC2853791

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Available files

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