Vitas-M small molecule compound

(2E)-3-(3-chlorophenyl)-N-cyclooctylprop-2-enamide

Catalog ID
STK440200
SMILES O=C(NC1CCCCCCC1)/C=C/c1cccc(c1)Cl

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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 C17H22ClNO MW 291.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22ClNO/c18-15-8-6-7-14(13-15)11-12-17(20)19-16-9-4-2-1-3-5-10-16/h6-8,11-13,16H,1-5,9-10H2,(H,19,20)/b12-11+
InChIKey
RBAHJRZVDYJXBN-VAWYXSNFSA-N
Synonyms

(2E)3(3chlorophenyl)Ncyclooctylprop2enamide
(E)3(3CHLOROPHENYL)NCYCLOOCTYLPROP2ENAMIDE
C1CCCC(CCC1)NC(=O)C=CC2=CC(=CC=C2)Cl
InChI=1SC17H22ClNOc181586714(1315)111217(20)19169421351016h68111316H15910H2(H1920)b1211+
MFCD03386045
O=C(NC1CCCCCCC1)C=Cc1cccc(c1)Cl
ZINC000000473614
ZINC00473614
ZINC473614

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.