Vitas-M small molecule compound
ethyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302796
SMILES CCCCn1c(SCC(=O)Nc2sc(c(c2C(=O)OCC)C)C)nnc1c1n(C)nc(c1Cl)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 C22H29ClN6O3S2 MW 525.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29ClN6O3S2/c1-7-9-10-29-19(18-17(23)13(4)27-28(18)6)25-26-22(29)33-11-15(30)24-20-16(21(31)32-8-2)12(3)14(5)34-20/h7-11H2,1-6H3,(H,24,30)InChIKey
WBBDWQMOJOGUHJ-UHFFFAOYSA-NSynonyms
1005642-03-41005642034
CCCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)C3=C(C(=NN3C)C)Cl
ethyl2((((4butyl5(4chloro13dimethyl1Hpyrazol5yl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((4BUTYL5(4CHLORO25DIMETHYLPYRAZOL3YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H29ClN6O3S2c179102919(1817(23)13(4)2728(18)6)252622(29)331115(30)242016(21(31)3282)12(3)14(5)3420h711H216H3(H2430)
MFCD04049028
ZINC000002743607
ZINC02743607
ZINC2743607
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