Vitas-M small molecule compound
(4-{(E)-[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK377036
SMILES COc1cc(ccc1OCC(=O)O)/C=C/1\C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
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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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-11-3-5-13(9-15(11)21)23-20(27)14(19(26)22-23)7-12-4-6-16(17(8-12)28-2)29-10-18(24)25/h3-9H,10H2,1-2H3,(H,22,26)(H,24,25)/b14-7+InChIKey
CKRDHLGUEYHUNO-VGOFMYFVSA-NSynonyms
(4((E)(1(3chloro4methylphenyl)35dioxopyrazolidin4ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((E)(1(3CHLORO4METHYLPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)C(=O)N2)Cl
COc1cc(ccc1OCC(=O)O)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC20H17ClN2O6c1113513(915(11)21)2320(27)14(19(26)2223)7124616(17(812)282)291018(24)25h39H10H212H3(H2226)(H2425)b147+
MFCD03834616
ZINC000004180448
ZINC4180448
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