Vitas-M small molecule compound

ethyl 2-({[(8-bromo-5-methyl-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
STK285453
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(C)c2c3cc(cc2)Br)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 C22H20BrN5O3S2 MW 546.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN5O3S2/c1-3-31-21(30)17-12-5-4-6-15(12)33-20(17)24-16(29)10-32-22-25-19-18(26-27-22)13-9-11(23)7-8-14(13)28(19)2/h7-9H,3-6,10H2,1-2H3,(H,24,29)
InChIKey
OYPYAUSIGKKJMX-UHFFFAOYSA-N
Synonyms
309272-02-4
309272024
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C5=C(N4C)C=CC(=C5)Br)N=N3
ethyl2((((8bromo5methyl5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2((8BROMO5METHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC22H20BrN5O3S2c133121(30)171254615(12)3320(17)2416(29)103222251918(262722)13911(23)7814(13)28(19)2h79H3610H212H3(H2429)
MFCD01819849
ZINC000002186285
ZINC02186285
ZINC2186285

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Available files

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