Vitas-M small molecule compound

8a'-hydroxy-1'-[2-(trifluoromethyl)benzyl]hexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione

Catalog ID
STL351314
SMILES S=C1NC2(CCCCC2)C2C(N1Cc1ccccc1C(F)(F)F)(O)CCCC2

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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 C21H27F3N2OS MW 412.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27F3N2OS/c22-21(23,24)16-9-3-2-8-15(16)14-26-18(28)25-19(11-5-1-6-12-19)17-10-4-7-13-20(17,26)27/h2-3,8-9,17,27H,1,4-7,10-14H2,(H,25,28)
InChIKey
KYCXZQJJARAALM-UHFFFAOYSA-N
Synonyms
1010882-59-3
1010882593
8ahydroxy1((2(trifluoromethyl)phenyl)methyl)spiro(34a5678hexahydroquinazoline41cyclohexane)2thione
8ahydroxy1(2(trifluoromethyl)benzyl)hexahydro1Hspiro(cyclohexane14quinazoline)2(3H)thione
C1CCC2(CC1)C3CCCCC3(N(C(=S)N2)CC4=CC=CC=C4C(F)(F)F)O
InChI=1SC21H27F3N2OSc2221(2324)16932815(16)142618(28)2519(115161219)1710471320(1726)27h23891727H1471014H2(H2528)
MFCD12200903
ZINC000012389152
ZINC000012389155

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Available files

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