Vitas-M small molecule compound

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

Catalog ID
STK216022
SMILES O=C(Nc1ccc(cc1)C(=O)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 C13H12N4O4S MW 320.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O4S/c14-9-5-10(18)17-13(16-9)22-6-11(19)15-8-3-1-7(2-4-8)12(20)21/h1-5H,6H2,(H,15,19)(H,20,21)(H3,14,16,17,18)
InChIKey
JSTPMWILRCNWCU-UHFFFAOYSA-N
Synonyms
511284-72-3
4((((4AMINO6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((6AMINO4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
511284723
C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NC(=O)C=C(N2)N
InChI=1SC13H12N4O4Sc149510(18)1713(169)22611(19)158317(248)12(20)21h15H6H2(H1519)(H2021)(H314161718)
MFCD06165930
O=C(Nc1ccc(cc1)C(=O)O)CSc1nc(N)cc(=O)(nH)1
ZINC000010491830
ZINC10491830

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Available files

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