Vitas-M small molecule compound

ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK302871
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)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 C22H23ClN6O4S2 MW 535.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN6O4S2/c1-5-32-21(31)17-12(2)13(3)35-20(17)24-16(30)11-34-22-26-25-19(18-15(23)10-28(4)27-18)29(22)9-14-7-6-8-33-14/h6-8,10H,5,9,11H2,1-4H3,(H,24,30)
InChIKey
XAFMWHCPMZYCIO-UHFFFAOYSA-N
Synonyms
1005616-26-1
1005616261
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NN(C=C4Cl)C
ethyl2((((5(4chloro1methyl1Hpyrazol3yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4CHLORO1METHYLPYRAZOL3YL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H23ClN6O4S2c153221(31)1712(2)13(3)3520(17)2416(30)113422262519(1815(23)1028(4)2718)29(22)9147683314h6810H5911H214H3(H2430)
MFCD04048670
ZINC000002747791
ZINC2747791

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Available files

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