Vitas-M small molecule compound

3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK335029
SMILES OC(=O)C1C2CCC(C1C(=O)Nc1nc3c(s1)cccc3)C2

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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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c19-14(12-8-5-6-9(7-8)13(12)15(20)21)18-16-17-10-3-1-2-4-11(10)22-16/h1-4,8-9,12-13H,5-7H2,(H,20,21)(H,17,18,19)
InChIKey
QABHXWMGVKPZJC-UHFFFAOYSA-N
Synonyms
345347-88-8
2(13BENZOTHIAZOL2YLCARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((13BENZOTHIAZOL2YLAMINO)CARBONYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
3(13benzothiazol2ylcarbamoyl)bicyclo(221)heptane2carboxylicacid
345347888
C1CC2CC1C(C2C(=O)O)C(=O)NC3=NC4=CC=CC=C4S3
InChI=1SC16H16N2O3Sc1914(128569(78)13(12)15(20)21)18161710312411(10)2216h14891213H57H2(H2021)(H171819)
MFCD01923981
ZINC000100629727
ZINC000239174423

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Available files

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