Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305088
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC)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 C23H29ClN6O3S2 MW 537.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29ClN6O3S2/c1-5-13-8-9-14-16(10-13)35-21(18(14)22(32)33-7-3)25-17(31)12-34-23-27-26-20(30(23)6-2)19-15(24)11-29(4)28-19/h11,13H,5-10,12H2,1-4H3,(H,25,31)InChIKey
LCXXWMZQXSBPML-UHFFFAOYSA-NSynonyms
1005669-38-41005669384
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3CC)C4=NN(C=C4Cl)C
ethyl2((((5(4chloro1methyl1Hpyrazol3yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(4chloro1methylpyrazol3yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H29ClN6O3S2c1513891416(1013)3521(18(14)22(32)3373)2517(31)123423272620(30(23)62)1915(24)1129(4)2819h1113H51012H214H3(H2531)
MFCD04049463
ZINC000002783992
ZINC000002783993
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