Vitas-M small molecule compound
methyl 3-{3-[(1E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK182289
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)OC)C)/C(=O)Nc1ccc2c(c1)cccc2
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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 C28H23N3O3 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3/c1-18-13-23(19(2)31(18)26-10-6-9-22(16-26)28(33)34-3)14-24(17-29)27(32)30-25-12-11-20-7-4-5-8-21(20)15-25/h4-16H,1-3H3,(H,30,32)/b24-14+InChIKey
CHYRNCFVSFEKOX-ZVHZXABRSA-NSynonyms
(E)methyl3(3(2cyano3(naphthalen2ylamino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC4=CC=CC=C4C=C3
InChI=1SC28H23N3O3c1181323(19(2)31(18)26106922(1626)28(33)343)1424(1729)27(32)3025121120745821(20)1525h416H13H3(H3032)b2414+
METHYL3(3((1E)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((E)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD02194035
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)OC)C)C(=O)Nc1ccc2c(c1)cccc2
ZINC000001195403
ZINC01195403
ZINC1195403
Check stock
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Check stock on Vitas-MAvailable files
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