Vitas-M small molecule compound

dimethyl 5-[({2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK458251
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2n(C)nc(c2Br)C)sc(c1C)C(=O)OC

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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 C16H18BrN5O5S2 MW 504.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN5O5S2/c1-6-8(14(24)26-4)13(29-11(6)15(25)27-5)18-16(28)20-19-12(23)10-9(17)7(2)21-22(10)3/h1-5H3,(H,19,23)(H2,18,20,28)
InChIKey
HYVJKDVHTPBYQF-UHFFFAOYSA-N
Synonyms

5(((((4BROMO25DIMETHYL3PYRAZOLYL)OXOMETHYL)HYDRAZO)SULFANYLIDENEMETHYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLICACIDDIMETHYLESTER
5(((4BROMO25DIMETHYLPYRAZOLE3CARBONYL)AMINO)THIOCARBAMOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLICACIDDIMETHYLESTER
CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br)C(=O)OC
dimethyl5(((2((4bromo13dimethyl1Hpyrazol5yl)carbonyl)hydrazinyl)carbonothioyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5(((2((4BROMO13DIMETHYL1HPYRAZOL5YL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIMETHYL5(((4BROMANYL25DIMETHYLPYRAZOL3YL)CARBONYLAMINO)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIMETHYL5(((4BROMO25DIMETHYLPYRAZOLE3CARBONYL)AMINO)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC16H18BrN5O5S2c168(14(24)264)13(2911(6)15(25)275)1816(28)201912(23)109(17)7(2)2122(10)3h15H3(H1923)(H2182028)
METHYL2(((((4BROMO13DIMETHYLPYRAZOL5YL)CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05075671
ZINC000002851655
ZINC02851655
ZINC2851655

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Available files

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