Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302695
SMILES CCOc1ccc(cc1)n1c(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 C25H27ClN6O4S2 MW 575.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN6O4S2/c1-6-35-17-10-8-16(9-11-17)32-22(21-18(26)12-31(5)30-21)28-29-25(32)37-13-19(33)27-23-20(24(34)36-7-2)14(3)15(4)38-23/h8-12H,6-7,13H2,1-5H3,(H,27,33)InChIKey
GKUDDGHJYHGLEU-UHFFFAOYSA-NSynonyms
957294-58-5957294585
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC)C4=NN(C=C4Cl)C
ETHYL2((((5(4CHLORO1METHYL1HPYRAZOL3YL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
ethyl2((((5(4chloro1methyl1Hpyrazol3yl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4CHLORO1METHYLPYRAZOL3YL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC25H27ClN6O4S2c16351710816(91117)3222(2118(26)1231(5)3021)282925(32)371319(33)272320(24(34)3672)14(3)15(4)3823h812H6713H215H3(H2733)
MFCD04048371
ZINC000002114550
ZINC02114550
ZINC2114550
Check stock
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Check stock on Vitas-MAvailable files
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