Vitas-M small molecule compound

methyl 3-(3-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Catalog ID
STK185206
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)OC)C)/C(=O)NCc1ccco1

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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/c1-15-10-18(11-19(13-24)22(27)25-14-21-8-5-9-30-21)16(2)26(15)20-7-4-6-17(12-20)23(28)29-3/h4-12H,14H2,1-3H3,(H,25,27)/b19-11+
InChIKey
VUELNJKZMDEKEC-YBFXNURJSA-N
Synonyms

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CO3
InChI=1SC23H21N3O4c1151018(1119(1324)22(27)2514218593021)16(2)26(15)2074617(1220)23(28)293h412H14H213H3(H2527)b1911+
METHYL3(3((1E)2CYANO3((FURAN2YLMETHYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
methyl3(3((E)2cyano3(furan2ylmethylamino)3oxoprop1enyl)25dimethylpyrrol1yl)benzoate
MFCD04496760
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)OC)C)C(=O)NCc1ccco1
ZINC000000884847
ZINC00884847
ZINC884847

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Available files

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