Vitas-M small molecule compound
ethyl 2-[({[6-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL267423
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(cc2)Cl)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 C23H23ClN4O4S2 MW 519.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O4S2/c1-2-32-22(31)19-15-5-3-4-6-17(15)34-21(19)25-18(29)12-33-23-26-20(30)16(27-28-23)11-13-7-9-14(24)10-8-13/h7-10H,2-6,11-12H2,1H3,(H,25,29)(H,26,28,30)InChIKey
PGQFFIDIMKQBGJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=O)C(=NN3)CC4=CC=C(C=C4)Cl
CCOC(=O)c1c(NC(=O)CSc2nnc(c(=O)(nH)2)Cc2ccc(cc2)Cl)sc2c1CCCC2
ethyl2((((6(4chlorobenzyl)5oxo45dihydro124triazin3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((6((4chlorophenyl)methyl)5oxo2H124triazin3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H23ClN4O4S2c123222(31)1915534617(15)3421(19)2518(29)1233232620(30)16(272823)11137914(24)10813h710H261112H21H3(H2529)(H262830)
MFCD07773476
ZINC000016806790
ZINC16806790
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