Vitas-M small molecule compound

methyl 2-{5-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate

Catalog ID
STK183007
SMILES N#C/C(=C\c1ccc(o1)c1ccccc1C(=O)OC)/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 C26H21N3O4 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4/c1-32-26(31)22-8-3-2-7-21(22)24-11-10-19(33-24)14-18(15-27)25(30)28-13-12-17-16-29-23-9-5-4-6-20(17)23/h2-11,14,16,29H,12-13H2,1H3,(H,28,30)/b18-14+
InChIKey
UALVIHHQWUWMMV-NBVRZTHBSA-N
Synonyms

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43
InChI=1SC26H21N3O4c13226(31)22832721(22)24111019(3324)1418(1527)25(30)28131217162923954620(17)23h211141629H1213H21H3(H2830)b1814+
METHYL2(5((1E)2CYANO2(N(2INDOL3YLETHYL)CARBAMOYL)VINYL)2FURYL)BENZOATE
METHYL2(5((1E)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOATE
METHYL2(5((E)2CYANO3(2(1HINDOL3YL)ETHYLAMINO)3OXOPROP1ENYL)FURAN2YL)BENZOATE
MFCD04368623
N#CC(=Cc1ccc(o1)c1ccccc1C(=O)OC)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000009263058
ZINC09263058
ZINC9263058

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.