Vitas-M small molecule compound

methyl 3-({3-[(1E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}methyl)benzoate

Catalog ID
STK473299
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc(c1)C(=O)OC)/C(=O)NC1CC1

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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 C24H21N3O3 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3/c1-30-24(29)17-6-4-5-16(11-17)14-27-15-19(21-7-2-3-8-22(21)27)12-18(13-25)23(28)26-20-9-10-20/h2-8,11-12,15,20H,9-10,14H2,1H3,(H,26,28)/b18-12+
InChIKey
UNPNLIAQSMCRCJ-LDADJPATSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4CC4
InChI=1SC24H21N3O3c13024(29)1764516(1117)14271519(21723822(21)27)1218(1325)23(28)262091020h2811121520H91014H21H3(H2628)b1812+
METHYL3((3((1E)2CYANO2(NCYCLOPROPYLCARBAMOYL)VINYL)INDOLYL)METHYL)BENZOATE
methyl3((3((1E)2cyano3(cyclopropylamino)3oxoprop1en1yl)1Hindol1yl)methyl)benzoate
methyl3((3((E)2cyano3(cyclopropylamino)3oxoprop1enyl)indol1yl)methyl)benzoate
MFCD07090426
N#CC(=Cc1cn(c2c1cccc2)Cc1cccc(c1)C(=O)OC)C(=O)NC1CC1
ZINC000017081685
ZINC17081685

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Available files

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