Vitas-M small molecule compound
2-(2-ethoxy-4-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK192822
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C22H19FN2O6S MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O6S/c1-3-30-18-11-13(8-9-17(18)31-12(2)21(28)29)10-14-19(26)24-22(32)25(20(14)27)16-7-5-4-6-15(16)23/h4-12H,3H2,1-2H3,(H,28,29)(H,24,26,32)/b14-10+InChIKey
WZWHHSADKULTIG-GXDHUFHOSA-NSynonyms
2(2ETHOXY4((E)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((E)(1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OC(C)C(=O)O
CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC22H19FN2O6Sc1330181113(8917(18)3112(2)21(28)29)101419(26)2422(32)25(20(14)27)16754615(16)23h412H3H212H3(H2829)(H242632)b1410+
MFCD04564306
ZINC000002905810
ZINC000002905812
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