Vitas-M small molecule compound

3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid

Catalog ID
STL050372
SMILES CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)C(=O)O

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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 C14H13N3O5 MW 303.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O5/c1-2-9(10-11(18)16-14(22)17-12(10)19)15-8-5-3-4-7(6-8)13(20)21/h3-6,15H,2H2,1H3,(H,20,21)(H2,16,17,18,19,22)
InChIKey
HQIFEYHLVGFZAC-UHFFFAOYSA-N
Synonyms

3(((1E)1(26dihydroxy4oxopyrimidin5(4H)ylidene)propyl)amino)benzoicacid
3(1(246TRIOXO13DIAZINAN5YLIDENE)PROPYLAMINO)BENZOICACID
CCC(=C1C(=NC(=NC1=O)O)O)Nc1cccc(c1)C(=O)O
CCC(=C1C(=O)NC(=O)NC1=O)NC2=CC=CC(=C2)C(=O)O
InChI=1SC14H13N3O5c129(1011(18)1614(22)1712(10)19)1585347(68)13(20)21h3615H2H21H3(H2021)(H21617181922)
MFCD05736039
ZINC000101041095
ZINC101041095

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Available files

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