Vitas-M small molecule compound
ethyl 2-[({[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302865
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2c2ccc(cc2)Cl)c2cn(nc2C)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 C24H25ClN6O3S2 MW 545.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN6O3S2/c1-6-34-23(33)20-13(2)15(4)36-22(20)26-19(32)12-35-24-28-27-21(18-11-30(5)29-14(18)3)31(24)17-9-7-16(25)8-10-17/h7-11H,6,12H2,1-5H3,(H,26,32)InChIKey
FFPPOBYYBFNJOJ-UHFFFAOYSA-NSynonyms
1005557-27-61005557276
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CN(N=C4C)C
ethyl2((((4(4chlorophenyl)5(13dimethyl1Hpyrazol4yl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((4(4CHLOROPHENYL)5(13DIMETHYLPYRAZOL4YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H25ClN6O3S2c163423(33)2013(2)15(4)3622(20)2619(32)123524282721(181130(5)2914(18)3)31(24)179716(25)81017h711H612H215H3(H2632)
MFCD04048706
ZINC000002747777
ZINC2747777
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