Vitas-M small molecule compound
methyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302997
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2nn(cc2Cl)C)sc2c1CCCC2
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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 C23H23ClN6O4S2 MW 547.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN6O4S2/c1-29-11-15(24)19(28-29)20-26-27-23(30(20)10-13-6-5-9-34-13)35-12-17(31)25-21-18(22(32)33-2)14-7-3-4-8-16(14)36-21/h5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,25,31)InChIKey
YOZRIPKWYIKUGL-UHFFFAOYSA-NSynonyms
1005618-05-21005618052
CN1C=C(C(=N1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)Cl
InChI=1SC23H23ClN6O4S2c1291115(24)19(2829)20262723(30(20)10136593413)351217(31)252118(22(32)332)14734816(14)3621h56911H34781012H212H3(H2531)
methyl2((((5(4chloro1methyl1Hpyrazol3yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(4chloro1methylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048668
ZINC000002756212
ZINC2756212
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