Vitas-M small molecule compound
(4-{(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Catalog ID
STK176605
SMILES CCOc1cc(ccc1OCC(=O)O)/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 C21H17ClN2O7 MW 444.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7/c1-2-30-17-10-12(3-8-16(17)31-11-18(25)26)9-15-19(27)23-21(29)24(20(15)28)14-6-4-13(22)5-7-14/h3-10H,2,11H2,1H3,(H,25,26)(H,23,27,29)/b15-9-InChIKey
CMYKHOCDMXTJCK-DHDCSXOGSA-NSynonyms
(4((Z)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
2(4((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)2ethoxyphenoxy)aceticacid
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC21H17ClN2O7c1230171012(3816(17)311118(25)26)91519(27)2321(29)24(20(15)28)146413(22)5714h310H211H21H3(H2526)(H232729)b159
MFCD02623679
ZINC000009311342
ZINC9311342
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