Vitas-M small molecule compound
ethyl 6-methyl-2-{[(10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Catalog ID
STL503375
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3n2nc2c(n3)[nH]c3c2cccc3)sc2c1CCN(C2)C
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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 C23H22N8O3S2 MW 522.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N8O3S2/c1-3-34-21(33)17-13-8-9-30(2)10-15(13)36-20(17)25-16(32)11-35-23-28-27-22-26-19-18(29-31(22)23)12-6-4-5-7-14(12)24-19/h4-7H,3,8-11H2,1-2H3,(H,25,32)(H,24,26,27)InChIKey
UVECAUSNPDCAPG-UHFFFAOYSA-NSynonyms
135474997
ethyl2((2(81012131516hexazatetracyclo(7700^(27)0^(1115))hexadeca1(16)24691113heptaen14ylsulfanyl)acetyl)amino)6methyl57dihydro4~(H)thieno(23c)pyridine3carboxylate
ethyl6methyl2(((10H(124)triazolo(4323)(124)triazino(56b)indol3ylsulfanyl)acetyl)amino)4567tetrahydrothieno(23c)pyridine3carboxylate
InChI=1SC23H22N8O3S2c133421(33)17138930(2)1015(13)3620(17)2516(32)113523282722261918(2931(22)23)12645714(12)2419h47H3811H212H3(H2532)(H242627)
MFCD01961510
ZINC000096929409
ZINC96929409
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