Vitas-M small molecule compound
4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid
Catalog ID
STK570489
SMILES OC1=NC(=O)/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C(=N1)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 C13H11N3O5 MW 289.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O5/c1-6(9-10(17)15-13(21)16-11(9)18)14-8-4-2-7(3-5-8)12(19)20/h2-5,14H,1H3,(H,19,20)(H2,15,16,17,18,21)InChIKey
QQXBLGOJPJQFNW-UHFFFAOYSA-NSynonyms
4(((1Z)1(26dihydroxy4oxopyrimidin5(4H)ylidene)ethyl)amino)benzoicacid
4(1(246TRIOXO13DIAZINAN5YLIDENE)ETHYLAMINO)BENZOICACID
CC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)C(=O)O
InChI=1SC13H11N3O5c16(910(17)1513(21)1611(9)18)148427(358)12(19)20h2514H1H3(H1920)(H21516171821)
MFCD05725096
OC1=NC(=O)C(=C(Nc2ccc(cc2)C(=O)O)C)C(=N1)O
ZINC000005033430
ZINC5033430
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