Vitas-M small molecule compound
4-({2-methoxy-6-(prop-2-en-1-yl)-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STL494984
SMILES C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(c1OCc1ccc(cc1)C(=O)O)OC
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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 C23H20N2O7 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O7/c1-3-4-16-9-14(10-17-20(26)24-23(30)25-21(17)27)11-18(31-2)19(16)32-12-13-5-7-15(8-6-13)22(28)29/h3,5-11H,1,4,12H2,2H3,(H,28,29)(H2,24,25,26,27,30)InChIKey
UXTNPNLYIOMMHB-UHFFFAOYSA-NSynonyms
4((2ALLYL6METHOXY4((246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2METHOXY6(PROP2EN1YL)4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2METHOXY6PROP2ENYL4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C3C(=O)NC(=O)NC3=O
InChI=1SC23H20N2O7c13416914(101720(26)2423(30)2521(17)27)1118(312)19(16)3212135715(8613)22(28)29h3511H1412H22H3(H2829)(H22425262730)
MFCD03994262
ZINC000002830458
ZINC2830458
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