Vitas-M small molecule compound

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

Catalog ID
STL351366
SMILES COc1ccc(cc1)CN1C(=S)NC2(C3C1(O)CCCC3)CCCCC2

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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 C21H30N2O2S MW 374.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O2S/c1-25-17-10-8-16(9-11-17)15-23-19(26)22-20(12-4-2-5-13-20)18-7-3-6-14-21(18,23)24/h8-11,18,24H,2-7,12-15H2,1H3,(H,22,26)
InChIKey
XNYZNRPEUZEDMO-UHFFFAOYSA-N
Synonyms
352444-11-2
352444112
8ahydroxy1((4methoxyphenyl)methyl)spiro(34a5678hexahydroquinazoline41cyclohexane)2thione
8ahydroxy1(4methoxybenzyl)hexahydro1Hspiro(cyclohexane14quinazoline)2(3H)thione
COC1=CC=C(C=C1)CN2C(=S)NC3(CCCCC3)C4C2(CCCC4)O
InChI=1SC21H30N2O2Sc1251710816(91117)152319(26)2220(124251320)187361421(1823)24h8111824H271215H21H3(H2226)
MFCD01117209
ZINC000000783519
ZINC000000783522

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Available files

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