Vitas-M small molecule compound
ethyl 2-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK758351
SMILES CCOC(=O)c1c(NC(=O)C(Sc2nnc3c(n2)[nH]c2c3cccc2)CC)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 C24H25N5O3S2 MW 495.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O3S2/c1-3-16(34-24-26-20-19(28-29-24)13-9-5-7-11-15(13)25-20)21(30)27-22-18(23(31)32-4-2)14-10-6-8-12-17(14)33-22/h5,7,9,11,16H,3-4,6,8,10,12H2,1-2H3,(H,27,30)(H,25,26,29)InChIKey
KECZPEBKEOLWLF-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC4=C(C5=CC=CC=C5N4)N=N3
CCOC(=O)c1c(NC(=O)C(Sc2nnc3c(n2)(nH)c2c3cccc2)CC)sc2c1CCCC2
ethyl2((2(5H(124)triazino(56b)indol3ylsulfanyl)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(5H(124)triazino(56b)indol3ylsulfanyl)butanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H25N5O3S2c1316(3424262019(282924)139571115(13)2520)21(30)272218(23(31)3242)1410681217(14)3322h5791116H34681012H212H3(H2730)(H252629)
MFCD02109982
ZINC000003666583
ZINC000003666584
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