Vitas-M small molecule compound
ethyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK303016
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2c2ccc(cc2)F)c2nn(c(c2Br)C)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 C24H24BrFN6O3S2 MW 607.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrFN6O3S2/c1-6-35-23(34)18-12(2)14(4)37-22(18)27-17(33)11-36-24-29-28-21(20-19(25)13(3)31(5)30-20)32(24)16-9-7-15(26)8-10-16/h7-10H,6,11H2,1-5H3,(H,27,33)InChIKey
PGFMHHGDRNOLCH-UHFFFAOYSA-NSynonyms
1005618-44-91005618449
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=NN(C(=C4Br)C)C
ethyl2((((5(4bromo15dimethyl1Hpyrazol3yl)4(4fluorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4BROMO15DIMETHYLPYRAZOL3YL)4(4FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H24BrFN6O3S2c163523(34)1812(2)14(4)3722(18)2717(33)113624292821(2019(25)13(3)31(5)3020)32(24)169715(26)81016h710H611H215H3(H2733)
MFCD04048674
ZINC000097948853
ZINC97948853
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