Vitas-M small molecule compound

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

Catalog ID
STK231333
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(=O)[nH]1

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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 C14H14N4O4S MW 334.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O4S/c1-22-13(21)8-4-2-3-5-9(8)16-12(20)7-23-14-17-10(15)6-11(19)18-14/h2-6H,7H2,1H3,(H,16,20)(H3,15,17,18,19)
InChIKey
CWDDEMWBUZJHNM-UHFFFAOYSA-N
Synonyms
500202-72-2
500202722
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)N
COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(=O)(nH)1
InChI=1SC14H14N4O4Sc12213(21)842359(8)1612(20)723141710(15)611(19)1814h26H7H21H3(H1620)(H315171819)
methyl2((((4amino6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)amino)benzoate
MFCD03686882

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Available files

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