Vitas-M small molecule compound

methyl N-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate

Catalog ID
STK120048
SMILES COC(=O)C(NC(=O)CSc1nc(N)cc(=O)[nH]1)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 C13H20N4O4S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N4O4S/c1-7(2)4-8(12(20)21-3)15-11(19)6-22-13-16-9(14)5-10(18)17-13/h5,7-8H,4,6H2,1-3H3,(H,15,19)(H3,14,16,17,18)
InChIKey
OHZZNTUWXSIEAU-UHFFFAOYSA-N
Synonyms
474091-39-9
474091399
CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=O)C=C(N1)N
COC(=O)C(NC(=O)CSc1nc(N)cc(=O)(nH)1)CC(C)C
InChI=1SC13H20N4O4Sc17(2)48(12(20)213)1511(19)62213169(14)510(18)1713h578H46H213H3(H1519)(H314161718)
METHYL2((2((6AMINO4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)4METHYLPENTANOATE
METHYLN(((4AMINO6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)LEUCINATE
MFCD02175273
ZINC000018094017
ZINC000018094019

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Available files

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