Vitas-M small molecule compound
ethyl 2-[({[5-(2-phenylethyl)-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
STK285455
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(CCc2ccccc2)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 C29H27N5O3S2 MW 557.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3S2/c1-2-37-28(36)24-20-12-8-14-22(20)39-27(24)30-23(35)17-38-29-31-26-25(32-33-29)19-11-6-7-13-21(19)34(26)16-15-18-9-4-3-5-10-18/h3-7,9-11,13H,2,8,12,14-17H2,1H3,(H,30,35)InChIKey
CCRZBOHNYSVUBN-UHFFFAOYSA-NSynonyms
312508-91-1312508911
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CCC6=CC=CC=C6)N=N3
ethyl2((((5(2phenylethyl)5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((2((5(2phenylethyl)(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2((5PHENETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC29H27N5O3S2c123728(36)24201281422(20)3927(24)3023(35)173829312625(323329)1911671321(19)34(26)16151894351018h3791113H28121417H21H3(H3035)
MFCD01461424
ZINC000003668219
ZINC03668219
ZINC3668219
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