Vitas-M small molecule compound
3-[(4-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK182658
SMILES N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(=O)O)/C(=O)NCc1ccco1
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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 C23H18N2O5 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5/c24-13-19(22(26)25-14-21-5-2-10-29-21)11-16-6-8-20(9-7-16)30-15-17-3-1-4-18(12-17)23(27)28/h1-12H,14-15H2,(H,25,26)(H,27,28)/b19-11+InChIKey
LQVPRWRQEABLGC-YBFXNURJSA-NSynonyms
(E)3((4(2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)phenoxy)methyl)benzoicacid
3((4((1E)2CYANO3((FURAN2YLMETHYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
3((4((E)2CYANO3(FURAN2YLMETHYLAMINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
3(4((E)2CYANO2((FURAN2YLMETHYL)CARBAMOYL)VINYL)PHENOXYMETHYL)BENZOICACID
C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)C(=O)O
InChI=1SC23H18N2O5c241319(22(26)25142152102921)11166820(9716)30151731418(1217)23(27)28h112H1415H2(H2526)(H2728)b1911+
MFCD02231218
ZINC000002240832
ZINC2240832
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