Vitas-M small molecule compound

4-[(5Z)-5-(5-chloro-2-methoxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid

Catalog ID
STL484781
SMILES COc1ccc(cc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)Cl

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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/c1-28-15-7-4-12(20)8-11(15)9-14-16(23)21-19(27)22(17(14)24)13-5-2-10(3-6-13)18(25)26/h2-9H,1H3,(H,25,26)(H,21,23,27)/b14-9-
InChIKey
DEHRSIBXJPHMFA-ZROIWOOFSA-N
Synonyms

4((5Z)5((5CHLORO2METHOXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOICACID
4((5Z)5(5chloro2methoxybenzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoicacid
COC1=C(C=C(C=C1)Cl)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
COc1ccc(cc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)Cl
InChI=1SC19H13ClN2O6c128157412(20)811(15)91416(23)2119(27)22(17(14)24)135210(3613)18(25)26h29H1H3(H2526)(H212327)b149
MFCD30713712
ZINC000033313744
ZINC33313744

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Available files

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