Vitas-M small molecule compound
(2-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK175047
SMILES OC(=O)COc1ccc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
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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 C21H17ClN2O6 MW 428.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6/c1-11-5-12(2)7-14(6-11)24-20(28)15(19(27)23-21(24)29)8-13-3-4-17(16(22)9-13)30-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b15-8+InChIKey
AWLJPVPMQXVPMY-OVCLIPMQSA-NSynonyms
428465-48-9(2CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
428465489
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C(=O)NC2=O)C
InChI=1SC21H17ClN2O6c111512(2)714(611)2420(28)15(19(27)2321(24)29)8133417(16(22)913)301018(25)26h39H10H212H3(H2526)(H232729)b158+
MFCD02605043
OC(=O)COc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
ZINC000002801857
ZINC2801857
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