Vitas-M small molecule compound

2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone

Catalog ID
STK755268
SMILES COc1ccc(cc1)C(=O)CSc1nnc2c(n1)n(CC)c1c2cccc1

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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-3-24-16-7-5-4-6-15(16)18-19(24)21-20(23-22-18)27-12-17(25)13-8-10-14(26-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKey
QHPMLACDWGQZJS-UHFFFAOYSA-N
Synonyms

2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5ethyl5H(124)triazino(56b)indol3yl)sulfanyl)1(4methoxyphenyl)ethanone
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)C4=CC=C(C=C4)OC
InChI=1SC20H18N4O2Sc132416754615(16)1819(24)2120(232218)271217(25)1381014(262)11913h411H312H212H3
MFCD00827689
ZINC000003118076
ZINC03118076
ZINC3118076

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.