Vitas-M small molecule compound
(2-chloro-4-{(E)-[1-(2-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK073617
SMILES CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)Cl)OCC(=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 C21H17ClN2O6 MW 428.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6/c1-2-13-5-3-4-6-16(13)24-20(28)14(19(27)23-21(24)29)9-12-7-8-17(15(22)10-12)30-11-18(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H,23,27,29)/b14-9+InChIKey
PFZZOXMIFHCHOO-NTEUORMPSA-NSynonyms
428463-75-6(2CHLORO4((E)(1(2ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2CHLORO4((1(2ETHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENOXY)ACETICACID
2(2CHLORO4((E)(1(2ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
428463756
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C(=O)NC2=O
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(c(c2)Cl)OCC(=O)O)C1=O
InChI=1SC21H17ClN2O6c1213534616(13)2420(28)14(19(27)2321(24)29)9127817(15(22)1012)301118(25)26h310H211H21H3(H2526)(H232729)b149+
MFCD02604568
STK073617
ZINC000002726766
ZINC2726766
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