Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302909
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC)c2nn(c(c2Cl)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 C20H25ClN6O3S2 MW 497.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN6O3S2/c1-7-27-17(16-15(21)11(4)26(6)25-16)23-24-20(27)31-9-13(28)22-18-14(19(29)30-8-2)10(3)12(5)32-18/h7-9H2,1-6H3,(H,22,28)InChIKey
WQIWAQYTVHFWJQ-UHFFFAOYSA-NSynonyms
1005616-82-91005616829
CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)C3=NN(C(=C3Cl)C)C
ethyl2((((5(4chloro15dimethyl1Hpyrazol3yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4CHLORO15DIMETHYLPYRAZOL3YL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H25ClN6O3S2c172717(1615(21)11(4)26(6)2516)232420(27)31913(28)221814(19(29)3082)10(3)12(5)3218h79H216H3(H2228)
MFCD04048984
ZINC000002747970
ZINC02747970
ZINC2747970
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