Vitas-M small molecule compound

8-tert-butyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one

Catalog ID
STK795461
SMILES Cc1ccc(cc1)N1C(=O)CSC21CCC(CC2)C(C)(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 C19H27NOS MW 317.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NOS/c1-14-5-7-16(8-6-14)20-17(21)13-22-19(20)11-9-15(10-12-19)18(2,3)4/h5-8,15H,9-13H2,1-4H3
InChIKey
XPRXCYQJZWAFGL-UHFFFAOYSA-N
Synonyms

8(tertbutyl)4(ptolyl)1thia4azaspiro(45)decan3one
8TERTBUTYL1(4METHYLPHENYL)4THIA1AZASPIRO(45)DECAN2ONE
8tertbutyl4(4methylphenyl)1thia4azaspiro(45)decan3one
CC1=CC=C(C=C1)N2C(=O)CSC23CCC(CC3)C(C)(C)C
InChI=1SC19H27NOSc1145716(8614)2017(21)132219(20)11915(101219)18(23)4h5815H913H214H3
MFCD02102894
ZINC000000205730
ZINC00205730
ZINC205730

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Available files

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