Vitas-M small molecule compound
(4-{(1Z)-3-[(3-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetic acid
Catalog ID
STL419625
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C(\C(=O)Nc1cccc(c1C)Cl)/C#N
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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 C21H19ClN2O5 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5/c1-3-28-19-10-14(7-8-18(19)29-12-20(25)26)9-15(11-23)21(27)24-17-6-4-5-16(22)13(17)2/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/b15-9-InChIKey
FRSTYKARZBXBGT-DHDCSXOGSA-NSynonyms
(4((1Z)3((3chloro2methylphenyl)amino)2cyano3oxoprop1en1yl)2ethoxyphenoxy)aceticacid
2(4((Z)3(3chloro2methylanilino)2cyano3oxoprop1enyl)2ethoxyphenoxy)aceticacid
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=CC=C2)Cl)C)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C(C(=O)Nc1cccc(c1C)Cl)C#N
InChI=1SC21H19ClN2O5c1328191014(7818(19)291220(25)26)915(1123)21(27)241764516(22)13(17)2h410H312H212H3(H2427)(H2526)b159
MFCD30707352
ZINC000005511671
ZINC5511671
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