Vitas-M small molecule compound
(4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK712596
SMILES COc1cc(ccc1OCC(=O)O)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)OC
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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 C21H17ClN2O8 MW 460.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O8/c1-30-15-6-4-12(9-14(15)22)24-20(28)13(19(27)23-21(24)29)7-11-3-5-16(17(8-11)31-2)32-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b13-7-InChIKey
ZMOKFPVCEOVQIO-QPEQYQDCSA-NSynonyms
799824-22-9(4((Z)(1(3chloro4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)aceticacid
(Z)2(4((1(3chloro4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((Z)(1(3CHLORO4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
799824229
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)C(=O)NC2=O)Cl
COc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)OC
InChI=1SC21H17ClN2O8c130156412(914(15)22)2420(28)13(19(27)2321(24)29)7113516(17(811)312)321018(25)26h39H10H212H3(H2526)(H232729)b137
MFCD03682633
ZINC000020191119
ZINC20191119
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