Vitas-M small molecule compound
ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL168404
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(Cc2ccccc2)c2c3cccc2)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 C28H25N5O3S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O3S2/c1-2-36-27(35)23-19-12-8-14-21(19)38-26(23)29-22(34)16-37-28-30-25-24(31-32-28)18-11-6-7-13-20(18)33(25)15-17-9-4-3-5-10-17/h3-7,9-11,13H,2,8,12,14-16H2,1H3,(H,29,34)InChIKey
WUHNXTIIHVWDHX-UHFFFAOYSA-NSynonyms
461407-23-8461407238
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3
ethyl2((((5benzyl5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2((5BENZYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC28H25N5O3S2c123627(35)23191281421(19)3826(23)2922(34)163728302524(313228)1811671320(18)33(25)151794351017h3791113H28121416H21H3(H2934)
MFCD01891394
ZINC000002759566
ZINC2759566
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