Vitas-M small molecule compound

(2E)-3-(2-butoxyphenyl)-N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide

Catalog ID
STL017001
SMILES CCCCOc1ccccc1/C=C(/C(=O)Nc1ncc(s1)Cc1cccc(c1)Cl)\C#N

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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 C24H22ClN3O2S MW 451.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O2S/c1-2-3-11-30-22-10-5-4-8-18(22)14-19(15-26)23(29)28-24-27-16-21(31-24)13-17-7-6-9-20(25)12-17/h4-10,12,14,16H,2-3,11,13H2,1H3,(H,27,28,29)/b19-14+
InChIKey
WWVDVVXKOQIHJM-XMHGGMMESA-N
Synonyms

(2E)3(2BUTOXYPHENYL)N(5((3CHLOROPHENYL)METHYL)(13THIAZOL2YL))2CYANOPROP2ENAMIDE
(2E)3(2butoxyphenyl)N(5(3chlorobenzyl)13thiazol2yl)2cyanoprop2enamide
(E)3(2BUTOXYPHENYL)N(5((3CHLOROPHENYL)METHYL)13THIAZOL2YL)2CYANOPROP2ENAMIDE
CCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl
CCCCOc1ccccc1C=C(C(=O)Nc1ncc(s1)Cc1cccc(c1)Cl)C#N
InChI=1SC24H22ClN3O2Sc1231130221054818(22)1419(1526)23(29)2824271621(3124)131776920(25)1217h410121416H231113H21H3(H272829)b1914+
MFCD02979222
ZINC000001905923
ZINC01905923
ZINC1905923

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Available files

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