Vitas-M small molecule compound
ethyl 2-({[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL179013
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3C)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 C23H23N5O4S2 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4S2/c1-3-32-21(31)18-14-9-5-7-11-16(14)34-19(18)24-17(29)12-33-23-26-25-22-27(2)20(30)13-8-4-6-10-15(13)28(22)23/h4,6,8,10H,3,5,7,9,11-12H2,1-2H3,(H,24,29)InChIKey
UFSKVWIRGUEPCE-UHFFFAOYSA-NSynonyms
938009-29-1938009291
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=O)N4C
ethyl2((((4methyl5oxo45dihydro(124)triazolo(43a)quinazolin1yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4methyl5oxo(124)triazolo(43a)quinazolin1yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H23N5O4S2c133221(31)18149571116(14)3419(18)2417(29)12332326252227(2)20(30)138461015(13)28(22)23h46810H35791112H212H3(H2429)
MFCD08553800
ZINC000016321154
ZINC16321154
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