Vitas-M small molecule compound
3-({2-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzoic acid
Catalog ID
STK183196
SMILES N#C/C(=C\c1ccccc1OCc1cccc(c1)C(=O)O)/C(=O)NCCc1c[nH]c2c1cccc2
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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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c29-16-23(27(32)30-13-12-22-17-31-25-10-3-2-9-24(22)25)15-20-7-1-4-11-26(20)35-18-19-6-5-8-21(14-19)28(33)34/h1-11,14-15,17,31H,12-13,18H2,(H,30,32)(H,33,34)/b23-15+InChIKey
VTNDPSJPOVDSTP-HZHRSRAPSA-NSynonyms
766527-12-23((2((1E)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
3((2((E)2cyano3(2(1Hindol3yl)ethylamino)3oxoprop1enyl)phenoxy)methyl)benzoicacid
766527122
C1=CC=C(C(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)OCC4=CC=CC(=C4)C(=O)O
InChI=1SC28H23N3O4c291623(27(32)301312221731251032924(22)25)15207141126(20)35181965821(1419)28(33)34h11114151731H121318H2(H3032)(H3334)b2315+
MFCD06664329
N#CC(=Cc1ccccc1OCc1cccc(c1)C(=O)O)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000019877238
ZINC19877238
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