Vitas-M small molecule compound
2-(2-ethoxy-4-{(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK176348
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c1-4-31-19-12-15(7-10-18(19)32-14(3)22(28)29)11-17-20(26)24-23(30)25(21(17)27)16-8-5-13(2)6-9-16/h5-12,14H,4H2,1-3H3,(H,28,29)(H,24,26,30)/b17-11-InChIKey
AYBWOJCCHKEQGJ-BOPFTXTBSA-NSynonyms
2(2ETHOXY4((Z)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((Z)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)OC(C)C(=O)O
CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChI=1SC23H22N2O7c1431191215(71018(19)3214(3)22(28)29)111720(26)2423(30)25(21(17)27)168513(2)6916h51214H4H213H3(H2829)(H242630)b1711
MFCD03704881
ZINC000014011053
ZINC000014011055
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