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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305110
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2n(C)nc(c2Cl)C)sc2c1CCC(C2)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 C26H29ClN6O4S2 MW 589.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN6O4S2/c1-5-36-25(35)20-17-9-8-14(2)11-18(17)39-24(20)28-19(34)13-38-26-30-29-23(22-21(27)15(3)31-32(22)4)33(26)12-16-7-6-10-37-16/h6-7,10,14H,5,8-9,11-13H2,1-4H3,(H,28,34)InChIKey
WXAYPHCSPGPKBO-UHFFFAOYSA-NSynonyms
1005639-24-61005639246
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=C(C(=NN5C)C)Cl
ethyl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(4chloro25dimethylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H29ClN6O4S2c153625(35)20179814(2)1118(17)3924(20)2819(34)133826302923(2221(27)15(3)3132(22)4)33(26)121676103716h671014H5891113H214H3(H2834)
MFCD04049350
ZINC000002784429
ZINC000002784430
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