Vitas-M small molecule compound

4-[(4-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

Catalog ID
STK175284
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)/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 C28H24N2O7 MW 500.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O7/c1-3-17-6-11-21(12-7-17)30-26(32)22(25(31)29-28(30)35)14-19-8-13-23(24(15-19)36-2)37-16-18-4-9-20(10-5-18)27(33)34/h4-15H,3,16H2,1-2H3,(H,33,34)(H,29,31,35)/b22-14+
InChIKey
QYXRMYQQCLHFAX-HYARGMPZSA-N
Synonyms

4((4((E)(1(4ethylphenyl)246trioxo13diazinan5ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
4((4((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC28H24N2O7c131761121(12717)3026(32)22(25(31)2928(30)35)141981323(24(1519)362)3716184920(10518)27(33)34h415H316H212H3(H3334)(H293135)b2214+
MFCD02085133
ZINC000009259611
ZINC9259611

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Available files

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