Vitas-M small molecule compound

methyl 3-{(1E)-3-[(2-chlorobenzyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-indole-4-carboxylate

Catalog ID
STL158073
SMILES N#C/C(=C\c1c[nH]c2c1c(ccc2)C(=O)OC)/C(=O)NCc1ccccc1Cl

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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 C21H16ClN3O3 MW 393.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O3/c1-28-21(27)16-6-4-8-18-19(16)15(12-24-18)9-14(10-23)20(26)25-11-13-5-2-3-7-17(13)22/h2-9,12,24H,11H2,1H3,(H,25,26)/b14-9+
InChIKey
DDRSLADKXVKTTQ-NTEUORMPSA-N
Synonyms
1282459-53-3
(E)methyl3(3((2chlorobenzyl)amino)2cyano3oxoprop1en1yl)1Hindole4carboxylate
1282459533
COC(=O)C1=C2C(=CC=C1)NC=C2C=C(C#N)C(=O)NCC3=CC=CC=C3Cl
InChI=1SC21H16ClN3O3c12821(27)166481819(16)15(122418)914(1023)20(26)251113523717(13)22h291224H11H21H3(H2526)b149+
methyl3((1E)3((2chlorobenzyl)amino)2cyano3oxoprop1en1yl)1Hindole4carboxylate
methyl3((E)3((2chlorophenyl)methylamino)2cyano3oxoprop1enyl)1Hindole4carboxylate
MFCD18798600
N#CC(=Cc1c(nH)c2c1c(ccc2)C(=O)OC)C(=O)NCc1ccccc1Cl
ZINC000061720033
ZINC61720033

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Available files

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