Vitas-M small molecule compound
4-[(5Z)-5-(3-chloro-4-methoxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STL484769
SMILES COc1ccc(cc1Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C19H13ClN2O6 MW 400.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O6/c1-28-15-7-2-10(9-14(15)20)8-13-16(23)21-19(27)22(17(13)24)12-5-3-11(4-6-12)18(25)26/h2-9H,1H3,(H,25,26)(H,21,23,27)/b13-8-InChIKey
FNYRCDCUUMTGQD-JYRVWZFOSA-NSynonyms
4((5Z)5((3CHLORO4METHOXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOICACID
4((5Z)5(3chloro4methoxybenzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoicacid
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)Cl
COc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O
InChI=1SC19H13ClN2O6c128157210(914(15)20)81316(23)2119(27)22(17(13)24)125311(4612)18(25)26h29H1H3(H2526)(H212327)b138
MFCD30713700
ZINC000033313296
ZINC33313296
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