Vitas-M small molecule compound
methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate
Catalog ID
STK182964
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=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 C25H22N4O3 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3/c1-32-24(30)16-29-15-19(21-7-3-5-9-23(21)29)12-18(13-26)25(31)27-11-10-17-14-28-22-8-4-2-6-20(17)22/h2-9,12,14-15,28H,10-11,16H2,1H3,(H,27,31)/b18-12+InChIKey
LAOAFTFWWQOQQJ-LDADJPATSA-NSynonyms
COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43
InChI=1SC25H22N4O3c13224(30)16291519(21735923(21)29)1218(1326)25(31)27111017142822842620(17)22h2912141528H101116H21H3(H2731)b1812+
METHYL(3((1E)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)2CYANO3(2(1HINDOL3YL)ETHYLAMINO)3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD04308030
N#CC(=Cc1cn(c2c1cccc2)CC(=O)OC)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000001095465
ZINC01095465
ZINC1095465
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