Vitas-M small molecule compound
2-(2-methoxy-4-{(Z)-[1-(4-nitrobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK161417
SMILES COc1cc(ccc1OC(C(=O)O)C)/C=C/1\NC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[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 C21H19N3O8 MW 441.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O8/c1-12(20(26)27)32-17-8-5-14(10-18(17)31-2)9-16-19(25)23(21(28)22-16)11-13-3-6-15(7-4-13)24(29)30/h3-10,12H,11H2,1-2H3,(H,22,28)(H,26,27)/b16-9-InChIKey
ABTQOHCFRSCRRV-SXGWCWSVSA-NSynonyms
2(2METHOXY4((Z)(1((4NITROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2METHOXY4((Z)(1(4NITROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)PROPANOICACID
CC(C(=O)O)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=C(C=C3)(N+)(=O)(O))OC
COc1cc(ccc1OC(C(=O)O)C)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H19N3O8c112(20(26)27)32178514(1018(17)312)91619(25)23(21(28)2216)11133615(7413)24(29)30h31012H11H212H3(H2228)(H2627)b169
MFCD03562705
ZINC000002817409
ZINC000002817411
Check stock
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Check stock on Vitas-MAvailable files
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