Vitas-M small molecule compound
methyl 2-({[4-bromo-1-(2-fluorobenzyl)-1H-pyrazol-3-yl]carbamothioyl}amino)-5-ethylthiophene-3-carboxylate
Catalog ID
STK455115
SMILES COC(=O)c1cc(sc1NC(=S)Nc1nn(cc1Br)Cc1ccccc1F)CC
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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 C19H18BrFN4O2S2 MW 497.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrFN4O2S2/c1-3-12-8-13(18(26)27-2)17(29-12)23-19(28)22-16-14(20)10-25(24-16)9-11-6-4-5-7-15(11)21/h4-8,10H,3,9H2,1-2H3,(H2,22,23,24,28)InChIKey
NBRPAFSHDHCHRX-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3F)C(=O)OC
InChI=1SC19H18BrFN4O2S2c1312813(18(26)272)17(2912)2319(28)221614(20)1025(2416)911645715(11)21h4810H39H212H3(H222232428)
METHYL2((((4BROMO1((2FLUOROPHENYL)METHYL)PYRAZOL3YL)AMINO)THIOXOMETHYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
methyl2(((4bromo1(2fluorobenzyl)1Hpyrazol3yl)carbamothioyl)amino)5ethylthiophene3carboxylate
METHYL2((4BROMO1((2FLUOROPHENYL)METHYL)PYRAZOL3YL)CARBAMOTHIOYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
MFCD04136886
ZINC000001117507
ZINC01117507
ZINC1117507
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