Vitas-M small molecule compound

methyl N-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl}-beta-alaninate

Catalog ID
STK716636
SMILES COC(=O)CCNC(=O)N1CCC(CC1)c1nc2c(s1)cccc2

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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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-23-15(21)6-9-18-17(22)20-10-7-12(8-11-20)16-19-13-4-2-3-5-14(13)24-16/h2-5,12H,6-11H2,1H3,(H,18,22)
InChIKey
SMUPGAQVQCZBMF-UHFFFAOYSA-N
Synonyms
929965-20-8
929965208
COC(=O)CCNC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2
InChI=1SC17H21N3O3Sc12315(21)691817(22)2010712(81120)161913423514(13)2416h2512H611H21H3(H1822)
methyl3((4(13benzothiazol2yl)piperidine1carbonyl)amino)propanoate
methyl3(4(benzo(d)thiazol2yl)piperidine1carboxamido)propanoate
methylN((4(13benzothiazol2yl)piperidin1yl)carbonyl)betaalaninate
MFCD09848988
ZINC000009050301
ZINC09050301
ZINC9050301

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Available files

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