Vitas-M small molecule compound
8a'-hydroxy-1'-(2-methoxybenzyl)hexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione
Catalog ID
STL351360
SMILES COc1ccccc1CN1C(=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/c1-25-17-10-4-3-9-16(17)15-23-19(26)22-20(12-6-2-7-13-20)18-11-5-8-14-21(18,23)24/h3-4,9-10,18,24H,2,5-8,11-15H2,1H3,(H,22,26)InChIKey
LUHWLWQMBLLLGE-UHFFFAOYSA-NSynonyms
499981-24-7499981247
8ahydroxy1((2methoxyphenyl)methyl)spiro(34a5678hexahydroquinazoline41cyclohexane)2thione
8ahydroxy1(2methoxybenzyl)hexahydro1Hspiro(cyclohexane14quinazoline)2(3H)thione
COC1=CC=CC=C1CN2C(=S)NC3(CCCCC3)C4C2(CCCC4)O
InChI=1SC21H30N2O2Sc125171043916(17)152319(26)2220(126271320)1811581421(1823)24h349101824H2581115H21H3(H2226)
MFCD01117212
ZINC000005515093
ZINC000005515097
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