Vitas-M small molecule compound
ethyl 2-[({[4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302807
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccccc2)c2nn(cc2Cl)C)sc(c1C)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 C24H25ClN6O3S2 MW 545.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN6O3S2/c1-5-34-23(33)19-14(2)15(3)36-22(19)26-18(32)13-35-24-28-27-21(20-17(25)12-30(4)29-20)31(24)11-16-9-7-6-8-10-16/h6-10,12H,5,11,13H2,1-4H3,(H,26,32)InChIKey
VPBPQGUCYNQSHZ-UHFFFAOYSA-NSynonyms
1005642-22-71005642227
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=NN(C=C4Cl)C
ethyl2((((4benzyl5(4chloro1methyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((4BENZYL5(4CHLORO1METHYLPYRAZOL3YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H25ClN6O3S2c153423(33)1914(2)15(3)3622(19)2618(32)133524282721(2017(25)1230(4)2920)31(24)111697681016h61012H51113H214H3(H2632)
MFCD04048711
ZINC000002743649
ZINC2743649
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