Vitas-M small molecule compound
4-({4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2-ethoxyphenoxy}methyl)benzoic acid
Catalog ID
STK186516
SMILES CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C(\C(=O)NCc1ccccc1)/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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-2-33-25-15-21(14-23(16-28)26(30)29-17-19-6-4-3-5-7-19)10-13-24(25)34-18-20-8-11-22(12-9-20)27(31)32/h3-15H,2,17-18H2,1H3,(H,29,30)(H,31,32)/b23-14-InChIKey
JRBXTRAQMVNNCP-UCQKPKSFSA-NSynonyms
4((4((1Z)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)2ETHOXYPHENOXY)METHYL)BENZOICACID
4((4((Z)3(benzylamino)2cyano3oxoprop1enyl)2ethoxyphenoxy)methyl)benzoicacid
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O
CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C(C(=O)NCc1ccccc1)C#N
InChI=1SC27H24N2O5c1233251521(1423(1628)26(30)2917196435719)101324(25)34182081122(12920)27(31)32h315H21718H21H3(H2930)(H3132)b2314
MFCD02084675
ZINC000009907439
ZINC9907439
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