Vitas-M small molecule compound

methyl (4-{(1E)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate

Catalog ID
STK185146
SMILES CCOc1cc(ccc1OCC(=O)OC)/C=C(/C(=O)Nc1cc(Cl)ccc1C)\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 C22H21ClN2O5 MW 428.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5/c1-4-29-20-10-15(6-8-19(20)30-13-21(26)28-3)9-16(12-24)22(27)25-18-11-17(23)7-5-14(18)2/h5-11H,4,13H2,1-3H3,(H,25,27)/b16-9+
InChIKey
MQEANFWFZFMDHJ-CXUHLZMHSA-N
Synonyms
444651-62-1
444651621
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)C)OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=C(C(=O)Nc1cc(Cl)ccc1C)C#N
InChI=1SC22H21ClN2O5c1429201015(6819(20)301321(26)283)916(1224)22(27)25181117(23)7514(18)2h511H413H213H3(H2527)b169+
METHYL(4((1E)3((5CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2ETHOXYPHENOXY)ACETATE
METHYL2(4((E)3(5CHLORO2METHYLANILINO)2CYANO3OXOPROP1ENYL)2ETHOXYPHENOXY)ACETATE
MFCD03181811
ZINC000001095520
ZINC01095520
ZINC1095520

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Available files

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