Vitas-M small molecule compound

methyl {4-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]phenoxy}acetate

Catalog ID
STK097643
SMILES N#C/C(=C\c1ccc(cc1)OCC(=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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-29-22(27)15-30-19-8-6-16(7-9-19)12-18(13-24)23(28)25-11-10-17-14-26-21-5-3-2-4-20(17)21/h2-9,12,14,26H,10-11,15H2,1H3,(H,25,28)/b18-12+
InChIKey
RFXFCGXHAFWAEZ-LDADJPATSA-N
Synonyms

(Z)methyl2(4(3((2(1Hindol3yl)ethyl)amino)2cyano3oxoprop1en1yl)phenoxy)acetate
COC(=O)COC1=CC=C(C=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32
InChI=1SC23H21N3O4c12922(27)1530198616(7919)1218(1324)23(28)25111017142621532420(17)21h29121426H101115H21H3(H2528)b1812+
METHYL(4((1E)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETATE
METHYL2(4((E)2CYANO3(2(1HINDOL3YL)ETHYLAMINO)3OXOPROP1ENYL)PHENOXY)ACETATE
MFCD02602851
N#CC(=Cc1ccc(cc1)OCC(=O)OC)C(=O)NCCc1c(nH)c2c1cccc2
STK097643
ZINC000000873321
ZINC00873321
ZINC873321

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Available files

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