Vitas-M small molecule compound
(2-chloro-4-{(1E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetic acid
Catalog ID
STK059469
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCC(=O)O)/C(=O)Nc1cccc(c1)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 C20H17ClN2O5 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5/c1-12-4-3-5-15(6-12)23-20(26)14(10-22)7-13-8-16(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+InChIKey
AQYBOYAUWTYXMX-VGOFMYFVSA-NSynonyms
358311-81-6(2CHLORO4((1E)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)ACETICACID
2(2CHLORO4((E)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)6METHOXYPHENOXY)ACETICACID
358311816
CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)O)OC)C#N
InChI=1SC20H17ClN2O5c11243515(612)2320(26)14(1022)713816(21)19(17(913)272)281118(24)25h39H11H212H3(H2326)(H2425)b147+
MFCD03181893
N#CC(=Cc1cc(Cl)c(c(c1)OC)OCC(=O)O)C(=O)Nc1cccc(c1)C
STK059469
ZINC000002785416
ZINC2785416
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