Vitas-M small molecule compound

2-(4-{(Z)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid

Catalog ID
STK176755
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(cc2)OC(C(=O)O)C)/C1=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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-3-14-4-8-16(9-5-14)24-20(26)18(19(25)23-22(24)29)12-15-6-10-17(11-7-15)30-13(2)21(27)28/h4-13H,3H2,1-2H3,(H,27,28)(H,23,25,29)/b18-12-
InChIKey
UNLLRSTZQFSXME-PDGQHHTCSA-N
Synonyms

(Z)2(4((1(4ethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
2(4((Z)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((Z)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((Z)(1(4ETHYLPHENYL)4HYDROXY26DIOXO16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OC(C(=O)O)C)C1=O
InChI=1SC22H20N2O6c13144816(9514)2420(26)18(19(25)2322(24)29)121561017(11715)3013(2)21(27)28h413H3H212H3(H2728)(H232529)b1812
MFCD02905073

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Available files

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