Vitas-M small molecule compound
ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK758935
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(Cc2ccccc2)c2c3cccc2)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 C29H27N5O3S2 MW 557.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3S2/c1-2-37-28(36)24-20-13-7-9-15-22(20)39-27(24)30-23(35)17-38-29-31-26-25(32-33-29)19-12-6-8-14-21(19)34(26)16-18-10-4-3-5-11-18/h3-6,8,10-12,14H,2,7,9,13,15-17H2,1H3,(H,30,35)InChIKey
MKKWJDWDDYUFRD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3
ethyl2((((5benzyl5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5benzyl(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H27N5O3S2c123728(36)242013791522(20)3927(24)3023(35)173829312625(323329)1912681421(19)34(26)1618104351118h368101214H279131517H21H3(H3035)
MFCD01460434
ZINC000002184984
ZINC02184984
ZINC2184984
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