Vitas-M small molecule compound

N-(6-{[(2,4-dimethylphenoxy)acetyl]amino}-1,3-benzothiazol-2-yl)butanamide

Catalog ID
STK498348
SMILES CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)COc1ccc(cc1C)C

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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-4-5-19(25)24-21-23-16-8-7-15(11-18(16)28-21)22-20(26)12-27-17-9-6-13(2)10-14(17)3/h6-11H,4-5,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKey
PCIDQJQHVYBCGT-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C)C
InChI=1SC21H23N3O3Sc14519(25)242123168715(1118(16)2821)2220(26)1227179613(2)1014(17)3h611H4512H213H3(H2226)(H232425)
MFCD09563394
N(6(((24dimethylphenoxy)acetyl)amino)13benzothiazol2yl)butanamide
N(6((2(24DIMETHYLPHENOXY)ACETYL)AMINO)13BENZOTHIAZOL2YL)BUTANAMIDE
ZINC000017081307
ZINC17081307

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Available files

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