Vitas-M small molecule compound

2-(3,4-dimethylphenyl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione

Catalog ID
STK050417
SMILES CC1CC(C)(C)CC2(C1)NC(=S)N(N2)c1ccc(c(c1)C)C

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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 C18H27N3S MW 317.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3S/c1-12-9-17(4,5)11-18(10-12)19-16(22)21(20-18)15-7-6-13(2)14(3)8-15/h6-8,12,20H,9-11H2,1-5H3,(H,19,22)
InChIKey
VYTAONWKLRDLIJ-UHFFFAOYSA-N
Synonyms

2(34DIMETHYLPHENYL)779TRIMETHYL124TRIAZASPIRO(45)DECANE3THIONE
3(34DIMETHYLPHENYL)799TRIMETHYL134TRIAZASPIRO(45)DECANE2THIONE
CC1CC(C)(C)CC2(C1)NC(=S)N(N2)c1ccc(c(c1)C)C
CC1CC(CC2(C1)NC(=S)N(N2)C3=CC(=C(C=C3)C)C)(C)C
InChI=1SC18H27N3Sc112917(45)1118(1012)1916(22)21(2018)157613(2)14(3)815h681220H911H215H3(H1922)
MFCD02983464
STK050417
ZINC000000093144
ZINC000000093153

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Available files

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