Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK302812
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2n(C)nc(c2Cl)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 C23H25ClN6O4S2 MW 549.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN6O4S2/c1-6-33-22(32)17-12(2)14(4)36-21(17)25-16(31)11-35-23-27-26-20(19-18(24)13(3)28-29(19)5)30(23)10-15-8-7-9-34-15/h7-9H,6,10-11H2,1-5H3,(H,25,31)InChIKey
IVTLHGUPKCOCRY-UHFFFAOYSA-NSynonyms
1005556-59-11005556591
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=C(C(=NN4C)C)Cl
ethyl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4CHLORO25DIMETHYLPYRAZOL3YL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H25ClN6O4S2c163322(32)1712(2)14(4)3621(17)2516(31)113523272620(1918(24)13(3)2829(19)5)30(23)10158793415h79H61011H215H3(H2531)
MFCD04049021
ZINC000002743665
ZINC2743665
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