Vitas-M small molecule compound

(4-hydroxy-4,7-dimethyl-5,6-diazaspiro[2.4]hept-6-en-5-yl)(phenyl)methanethione

Catalog ID
STK369947
SMILES S=C(N1N=C(C2(C1(C)O)CC2)C)c1ccccc1

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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 C14H16N2OS MW 260.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2OS/c1-10-14(8-9-14)13(2,17)16(15-10)12(18)11-6-4-3-5-7-11/h3-7,17H,8-9H2,1-2H3
InChIKey
CZUGMRCTHZRMID-UHFFFAOYSA-N
Synonyms

(4hydroxy47dimethyl56diazaspiro(24)hept6en5yl)(phenyl)methanethione
(7HYDROXY47DIMETHYL56DIAZASPIRO(24)HEPT4EN6YL)PHENYLMETHANETHIONE
47DIMETHYL5(PHENYLTHIOXOMETHYL)56DIAZASPIRO(24)HEPT6EN4OL
CC1=NN(C(C12CC2)(C)O)C(=S)C3=CC=CC=C3
InChI=1SC14H16N2OSc11014(8914)13(217)16(1510)12(18)116435711h3717H89H212H3
MFCD00443028
ZINC000000302956
ZINC000004018012

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Available files

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