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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302940
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2nn(cc2Cl)C)sc2c1CCC(C2)CC
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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 C26H29ClN6O4S2 MW 589.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN6O4S2/c1-4-15-8-9-17-19(11-15)39-24(21(17)25(35)36-5-2)28-20(34)14-38-26-30-29-23(22-18(27)13-32(3)31-22)33(26)12-16-7-6-10-37-16/h6-7,10,13,15H,4-5,8-9,11-12,14H2,1-3H3,(H,28,34)InChIKey
UZXYTRJAQIAGLK-UHFFFAOYSA-NSynonyms
1005671-51-11005671511
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=NN(C=C5Cl)C
ethyl2((((5(4chloro1methyl1Hpyrazol3yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(4chloro1methylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H29ClN6O4S2c1415891719(1115)3924(21(17)25(35)3652)2820(34)143826302923(2218(27)1332(3)3122)33(26)121676103716h67101315H4589111214H213H3(H2834)
MFCD04048671
ZINC000097948642
ZINC000097948643
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