Vitas-M small molecule compound
ethyl 4-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoate
Catalog ID
STL056251
SMILES CCOC(=O)c1ccc(cc1)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC
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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 C16H17N3O5 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5/c1-3-11(12-13(20)18-16(23)19-14(12)21)17-10-7-5-9(6-8-10)15(22)24-4-2/h5-8,17H,3-4H2,1-2H3,(H2,18,19,20,21,23)InChIKey
IWBIEKLSIOGYBS-UHFFFAOYSA-NSynonyms
CCC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=C1C(=NC(=NC1=O)O)O)CC
ethyl4(((1E)1(26dihydroxy4oxopyrimidin5(4H)ylidene)propyl)amino)benzoate
ETHYL4(1(246TRIOXO13DIAZINAN5YLIDENE)PROPYLAMINO)BENZOATE
InChI=1SC16H17N3O5c1311(1213(20)1816(23)1914(12)21)1710759(6810)15(22)2442h5817H34H212H3(H21819202123)
MFCD05727536
ZINC000101039584
ZINC101039584
ZINC18066263
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