Vitas-M small molecule compound

3H-spiro[1,3-benzothiazole-2,1'-cycloheptane]

Catalog ID
STK696546
SMILES C1CCCC2(CC1)Nc1c(S2)cccc1

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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 C13H17NS MW 219.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NS/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12(11)15-13/h3-4,7-8,14H,1-2,5-6,9-10H2
InChIKey
PKPWMKHYIZRSHT-UHFFFAOYSA-N
Synonyms

3Hspiro(13benzothiazole21cycloheptane)
C1CCCC2(CC1)NC3=CC=CC=C3S2
InChI=1SC13H17NSc1261013(951)1411734812(11)1513h347814H1256910H2
MFCD00760516
SPIRO(23DIHYDROBENZOTHIAZOLE21CYCLOHEPTANE)
SPIRO(3H13BENZOTHIAZOLE21CYCLOHEPTANE)
ZINC000000062399
ZINC00062399
ZINC62399

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Available files

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