Vitas-M small molecule compound
4-[(5Z)-5-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STL484777
SMILES C#CCOc1c(Cl)cc(cc1OCC)/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 C23H17ClN2O7 MW 468.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O7/c1-3-9-33-19-17(24)11-13(12-18(19)32-4-2)10-16-20(27)25-23(31)26(21(16)28)15-7-5-14(6-8-15)22(29)30/h1,5-8,10-12H,4,9H2,2H3,(H,29,30)(H,25,27,31)/b16-10-InChIKey
XCTASCWOQNQLRO-YBEGLDIGSA-NSynonyms
4((5Z)5((3CHLORO5ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOICACID
4((5Z)5(3chloro5ethoxy4(prop2yn1yloxy)benzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoicacid
C#CCOc1c(Cl)cc(cc1OCC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)Cl)OCC#C
InChI=1SC23H17ClN2O7c139331917(24)1113(1218(19)3242)101620(27)2523(31)26(21(16)28)157514(6815)22(29)30h1581012H49H22H3(H2930)(H252731)b1610
MFCD30713708
ZINC000033398551
ZINC33398551
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