Vitas-M small molecule compound
5-{(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzoic acid
Catalog ID
STL484569
SMILES COc1ccc(cc1C(=O)O)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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/c1-28-15-7-2-10(8-13(15)18(25)26)9-14-16(23)21-19(27)22(17(14)24)12-5-3-11(20)4-6-12/h2-9H,1H3,(H,25,26)(H,21,23,27)/b14-9-InChIKey
AMXZIJCRTPDPJL-ZROIWOOFSA-NSynonyms
5((Z)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYBENZOICACID
5((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxybenzoicacid
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(=O)O
COc1ccc(cc1C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC19H13ClN2O6c128157210(813(15)18(25)26)91416(23)2119(27)22(17(14)24)125311(20)4612h29H1H3(H2526)(H212327)b149
MFCD30713632
ZINC000033321915
ZINC33321915
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