Vitas-M small molecule compound
ethyl 1-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}piperidine-3-carboxylate
Catalog ID
STL183446
SMILES CCOC(=O)C1CCCN(C1)c1nc2n(c3c1scc3)nnc2S(=O)(=O)c1ccc(cc1)Br
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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 C21H20BrN5O4S2 MW 550.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5O4S2/c1-2-31-21(28)13-4-3-10-26(12-13)18-17-16(9-11-32-17)27-19(23-18)20(24-25-27)33(29,30)15-7-5-14(22)6-8-15/h5-9,11,13H,2-4,10,12H2,1H3InChIKey
NLSIJXOPVBMNOA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)C2=NC3=C(N=NN3C4=C2SC=C4)S(=O)(=O)C5=CC=C(C=C5)Br
ethyl1(3((4bromophenyl)sulfonyl)thieno(23e)(123)triazolo(15a)pyrimidin5yl)piperidine3carboxylate
InChI=1SC21H20BrN5O4S2c123121(28)13431026(1213)181716(9113217)2719(2318)20(242527)33(2930)157514(22)6815h591113H241012H21H3
MFCD14898892
ZINC000008589518
ZINC000008589519
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