Vitas-M small molecule compound

methyl N-{[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}leucinate

Catalog ID
STL218877
SMILES COC(=O)C(NC(=O)c1nc(SC)ncc1Br)CC(C)C

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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 C13H18BrN3O3S MW 376.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18BrN3O3S/c1-7(2)5-9(12(19)20-3)16-11(18)10-8(14)6-15-13(17-10)21-4/h6-7,9H,5H2,1-4H3,(H,16,18)
InChIKey
IIEALSAYUDFBDV-UHFFFAOYSA-N
Synonyms

CC(C)CC(C(=O)OC)NC(=O)C1=NC(=NC=C1Br)SC
InChI=1SC13H18BrN3O3Sc17(2)59(12(19)203)1611(18)108(14)61513(1710)214h679H5H214H3(H1618)
methyl2((5bromo2methylsulfanylpyrimidine4carbonyl)amino)4methylpentanoate
methylN((5bromo2(methylsulfanyl)pyrimidin4yl)carbonyl)leucinate
MFCD18081901
ZINC000041157860
ZINC000041157863

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Available files

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