Vitas-M small molecule compound
(2-chloro-6-methoxy-4-{(E)-[1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK160646
SMILES COc1cc(/C=C\2/NC(=O)N(C2=O)Cc2ccc(cc2)C)cc(c1OCC(=O)O)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 C21H19ClN2O6 MW 430.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6/c1-12-3-5-13(6-4-12)10-24-20(27)16(23-21(24)28)8-14-7-15(22)19(17(9-14)29-2)30-11-18(25)26/h3-9H,10-11H2,1-2H3,(H,23,28)(H,25,26)/b16-8+InChIKey
SHGIWPLSZHPNNM-LZYBPNLTSA-NSynonyms
(2CHLORO6METHOXY4((E)(1(4METHYLBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)ACETICACID
2(2CHLORO6METHOXY4((E)(1((4METHYLPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)ACETICACID
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)OC)NC2=O
COc1cc(C=C2NC(=O)N(C2=O)Cc2ccc(cc2)C)cc(c1OCC(=O)O)Cl
InChI=1SC21H19ClN2O6c1123513(6412)102420(27)16(2321(24)28)814715(22)19(17(914)292)301118(25)26h39H1011H212H3(H2328)(H2526)b168+
MFCD05800869
ZINC000009323854
ZINC9323854
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