Vitas-M small molecule compound

4-[(1E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 3-methylbenzoate

Catalog ID
STK473410
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1cccc(c1)C)/C(=O)NC1CCCCCC1

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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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-18-8-7-9-20(14-18)26(30)32-23-13-12-19(16-24(23)31-2)15-21(17-27)25(29)28-22-10-5-3-4-6-11-22/h7-9,12-16,22H,3-6,10-11H2,1-2H3,(H,28,29)/b21-15+
InChIKey
JMICNIIDPABRRA-RCCKNPSSSA-N
Synonyms

(4((E)2cyano3(cycloheptylamino)3oxoprop1enyl)2methoxyphenyl)3methylbenzoate
4((1E)2CYANO2(NCYCLOHEPTYLCARBAMOYL)VINYL)2METHOXYPHENYL3METHYLBENZOATE
4((1E)2cyano3(cycloheptylamino)3oxoprop1en1yl)2methoxyphenyl3methylbenzoate
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3CCCCCC3)OC
InChI=1SC26H28N2O4c11887920(1418)26(30)3223131219(1624(23)312)1521(1727)25(29)28221053461122h79121622H361011H212H3(H2829)b2115+
MFCD07090575
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1cccc(c1)C)C(=O)NC1CCCCCC1
ZINC000017097993
ZINC17097993

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Available files

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