Vitas-M small molecule compound

N-(6-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3-benzothiazol-2-yl)butanamide

Catalog ID
STK498318
SMILES CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)/C=C/c1ccccc1

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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 C20H19N3O2S MW 365.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O2S/c1-2-6-18(24)23-20-22-16-11-10-15(13-17(16)26-20)21-19(25)12-9-14-7-4-3-5-8-14/h3-5,7-13H,2,6H2,1H3,(H,21,25)(H,22,23,24)/b12-9+
InChIKey
SPBKYOBBTCXMPE-FMIVXFBMSA-N
Synonyms

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=CC=C3
CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)C=Cc1ccccc1
InChI=1SC20H19N3O2Sc12618(24)23202216111015(1317(16)2620)2119(25)129147435814h35713H26H21H3(H2125)(H222324)b129+
MFCD09562092
N(6(((2E)3phenylprop2enoyl)amino)13benzothiazol2yl)butanamide
N(6(((E)3phenylprop2enoyl)amino)13benzothiazol2yl)butanamide
ZINC000017075108
ZINC17075108

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Available files

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