Vitas-M small molecule compound

methyl 2-({[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl}amino)benzoate

Catalog ID
STL232635
SMILES COC(=O)c1ccccc1NC(=O)N1CCCC(C1)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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-27-20(25)15-8-2-3-9-16(15)23-21(26)24-12-6-7-14(13-24)19-22-17-10-4-5-11-18(17)28-19/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,23,26)
InChIKey
AOUBSFGZKLALMD-UHFFFAOYSA-N
Synonyms
1081127-26-5
1081127265
COC(=O)C1=CC=CC=C1NC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3
InChI=1SC21H21N3O3Sc12720(25)15823916(15)2321(26)24126714(1324)19221710451118(17)2819h2581114H671213H21H3(H2326)
methyl2(((3(13benzothiazol2yl)piperidin1yl)carbonyl)amino)benzoate
methyl2((3(13benzothiazol2yl)piperidine1carbonyl)amino)benzoate
methyl2(3(benzo(d)thiazol2yl)piperidine1carboxamido)benzoate
MFCD12206604
ZINC000020722651
ZINC000020722654

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Available files

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