Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302972
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC(C)C)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 C21H27ClN6O3S2 MW 511.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O3S2/c1-7-31-20(30)16-12(4)13(5)33-19(16)23-15(29)10-32-21-25-24-18(28(21)8-11(2)3)17-14(22)9-27(6)26-17/h9,11H,7-8,10H2,1-6H3,(H,23,29)InChIKey
FOGQAPHELBKRGD-UHFFFAOYSA-NSynonyms
1005617-72-01005617720
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC(C)C)C3=NN(C=C3Cl)C
ethyl2((((5(4chloro1methyl1Hpyrazol3yl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4CHLORO1METHYLPYRAZOL3YL)4(2METHYLPROPYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H27ClN6O3S2c173120(30)1612(4)13(5)3319(16)2315(29)103221252418(28(21)811(2)3)1714(22)927(6)2617h911H7810H216H3(H2329)
MFCD04048667
ZINC000002752102
ZINC02752102
ZINC2752102
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