Vitas-M small molecule compound
3-({(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid
Catalog ID
STL150875
SMILES Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\Nc2cccc(c2)C(=O)O)/C1=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 C19H14FN3O5 MW 383.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14FN3O5/c20-13-6-4-11(5-7-13)10-23-17(25)15(16(24)22-19(23)28)9-21-14-3-1-2-12(8-14)18(26)27/h1-9,21H,10H2,(H,26,27)(H,22,24,28)/b15-9+InChIKey
HKENVMYLEJIVHB-OQLLNIDSSA-NSynonyms
3(((E)(1((4FLUOROPHENYL)METHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
3(((E)(1(4fluorobenzyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)benzoicacid
C1=CC(=CC(=C1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F)C(=O)O
Fc1ccc(cc1)CN1C(=O)N=C(C(=CNc2cccc(c2)C(=O)O)C1=O)O
InChI=1SC19H14FN3O5c20136411(5713)102317(25)15(16(24)2219(23)28)9211431212(814)18(26)27h1921H10H2(H2627)(H222428)b159+
MFCD04078126
ZINC000002413525
ZINC2413525
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