Vitas-M small molecule compound
2-(4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)propanoic acid
Catalog ID
STK170544
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C22H19ClN2O7 MW 458.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O7/c1-3-31-18-11-13(4-9-17(18)32-12(2)21(28)29)10-16-19(26)24-22(30)25(20(16)27)15-7-5-14(23)6-8-15/h4-12H,3H2,1-2H3,(H,28,29)(H,24,26,30)/b16-10+InChIKey
WZFPHEBFNGGVRX-MHWRWJLKSA-NSynonyms
2(4((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((E)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OC(C)C(=O)O
CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC22H19ClN2O7c1331181113(4917(18)3212(2)21(28)29)101619(26)2422(30)25(20(16)27)157514(23)6815h412H3H212H3(H2829)(H242630)b1610+
MFCD04577794
ZINC000002905632
ZINC000002905634
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