Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302822
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC(C)C)c2n(C)nc(c2Cl)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 C26H35ClN6O3S2 MW 579.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35ClN6O3S2/c1-7-16-9-10-17-18(11-16)38-24(20(17)25(35)36-8-2)28-19(34)13-37-26-30-29-23(33(26)12-14(3)4)22-21(27)15(5)31-32(22)6/h14,16H,7-13H2,1-6H3,(H,28,34)InChIKey
VEFRUWGGNPLRIM-UHFFFAOYSA-NSynonyms
1005642-61-41005642614
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3CC(C)C)C4=C(C(=NN4C)C)Cl
ethyl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(4chloro25dimethylpyrazol3yl)4(2methylpropyl)124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H35ClN6O3S2c17169101718(1116)3824(20(17)25(35)3682)2819(34)133726302923(33(26)1214(3)4)2221(27)15(5)3132(22)6h1416H713H216H3(H2834)
MFCD04048957
ZINC000002743707
ZINC000002743708
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