Vitas-M small molecule compound

ethyl 2-({2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoyl}amino)-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK014965
SMILES CCOC(=O)c1sc(nc1C)NC(=O)C(Sc1nnc2c(n1)n(CC)c1c2cccc1)CC

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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 C22H24N6O3S2 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O3S2/c1-5-15(19(29)25-21-23-12(4)17(33-21)20(30)31-7-3)32-22-24-18-16(26-27-22)13-10-8-9-11-14(13)28(18)6-2/h8-11,15H,5-7H2,1-4H3,(H,23,25,29)
InChIKey
UECDJZMHMZWVMG-UHFFFAOYSA-N
Synonyms
421583-64-4
421583644
CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2
CCOC(=O)c1sc(nc1C)NC(=O)C(Sc1nnc2c(n1)n(CC)c1c2cccc1)CC
ETHYL2((2((5ETHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTANOYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(2((5ETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTANOYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC22H24N6O3S2c1515(19(29)25212312(4)17(3321)20(30)3173)3222241816(262722)1310891114(13)28(18)62h81115H57H214H3(H232529)
MFCD03197219
STK014965
ZINC000002745823
ZINC000002745824

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Available files

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