Vitas-M small molecule compound
methyl 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoate
Catalog ID
STK567610
SMILES CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)C(=O)OC
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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 C15H15N3O5 MW 317.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O5/c1-3-10(11-12(19)17-15(22)18-13(11)20)16-9-6-4-5-8(7-9)14(21)23-2/h4-7,16H,3H2,1-2H3,(H2,17,18,19,20,22)InChIKey
SCBZRNOTUUUQMI-UHFFFAOYSA-NSynonyms
CCC(=C1C(=NC(=NC1=O)O)O)Nc1cccc(c1)C(=O)OC
CCC(=C1C(=O)NC(=O)NC1=O)NC2=CC=CC(=C2)C(=O)OC
InChI=1SC15H15N3O5c1310(1112(19)1715(22)1813(11)20)1696458(79)14(21)232h4716H3H212H3(H21718192022)
methyl3(((1E)1(26dihydroxy4oxopyrimidin5(4H)ylidene)propyl)amino)benzoate
METHYL3(1(246TRIOXO13DIAZINAN5YLIDENE)PROPYLAMINO)BENZOATE
MFCD05737347
ZINC000101087768
ZINC05625233
ZINC101087768
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