Vitas-M small molecule compound
ethyl 2-{[({6-[2-(acetylamino)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK285479
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(c(=O)[nH]2)c2ccccc2NC(=O)C)sc2c1CCC2
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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 C23H23N5O5S2 MW 513.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S2/c1-3-33-22(32)18-14-8-6-10-16(14)35-21(18)25-17(30)11-34-23-26-20(31)19(27-28-23)13-7-4-5-9-15(13)24-12(2)29/h4-5,7,9H,3,6,8,10-11H2,1-2H3,(H,24,29)(H,25,30)(H,26,28,31)InChIKey
DDEUPDXCASZYCL-UHFFFAOYSA-NSynonyms
931373-20-5931373205
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4NC(=O)C
CCOC(=O)c1c(NC(=O)CSc2nnc(c(=O)(nH)2)c2ccccc2NC(=O)C)sc2c1CCC2
ethyl2((((6(2(acetylamino)phenyl)5oxo45dihydro124triazin3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((2((6(2acetamidophenyl)5oxo2H124triazin3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC23H23N5O5S2c133322(32)1814861016(14)3521(18)2517(30)1134232620(31)19(272823)13745915(13)2412(2)29h4579H3681011H212H3(H2429)(H2530)(H262831)
MFCD09270950
ZINC000013942936
ZINC13942936
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