Vitas-M small molecule compound
ethyl 2-[({[4-butyl-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
STK302956
SMILES CCCCn1c(SCC(=O)Nc2sc(c(c2C(=O)OCC)C)C)nnc1c1nn(cc1Cl)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 C21H27ClN6O3S2 MW 511.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O3S2/c1-6-8-9-28-18(17-14(22)10-27(5)26-17)24-25-21(28)32-11-15(29)23-19-16(20(30)31-7-2)12(3)13(4)33-19/h10H,6-9,11H2,1-5H3,(H,23,29)InChIKey
XWWBHFSYNIYKRU-UHFFFAOYSA-NSynonyms
1005617-41-31005617413
CCCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)C3=NN(C=C3Cl)C
ethyl2((((4butyl5(4chloro1methyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((4BUTYL5(4CHLORO1METHYLPYRAZOL3YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H27ClN6O3S2c16892818(1714(22)1027(5)2617)242521(28)321115(29)231916(20(30)3172)12(3)13(4)3319h10H6911H215H3(H2329)
MFCD04048666
ZINC000013958195
ZINC13958195
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