Vitas-M small molecule compound
4-({2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-6-ethoxyphenoxy}methyl)benzoic acid
Catalog ID
STK362821
SMILES CCOc1cc(/C=C(\C(=O)N2CCN(CC2)c2ccccc2)/C#N)cc(c1OCc1ccc(cc1)C(=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 C30H28ClN3O5 MW 546.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O5/c1-2-38-27-18-22(17-26(31)28(27)39-20-21-8-10-23(11-9-21)30(36)37)16-24(19-32)29(35)34-14-12-33(13-15-34)25-6-4-3-5-7-25/h3-11,16-18H,2,12-15,20H2,1H3,(H,36,37)/b24-16-InChIKey
XJJGRIHXJYNNDD-JLPGSUDCSA-NSynonyms
4((2CHLORO4((1Z)2CYANO3OXO3(4PHENYLPIPERAZIN1YL)PROP1EN1YL)6ETHOXYPHENOXY)METHYL)BENZOICACID
4((2CHLORO4((Z)2CYANO3OXO3(4PHENYLPIPERAZIN1YL)PROP1ENYL)6ETHOXYPHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)OCC4=CC=C(C=C4)C(=O)O
CCOc1cc(C=C(C(=O)N2CCN(CC2)c2ccccc2)C#N)cc(c1OCc1ccc(cc1)C(=O)O)Cl
InChI=1SC30H28ClN3O5c1238271822(1726(31)28(27)39202181023(11921)30(36)37)1624(1932)29(35)34141233(131534)256435725h3111618H2121520H21H3(H3637)b2416
MFCD02795687
ZINC000004081824
ZINC4081824
Check stock
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