Vitas-M small molecule compound
8a'-hydroxy-1'-(3,4,5-trimethoxybenzyl)hexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione
Catalog ID
STL351304
SMILES COc1cc(CN2C(=S)NC3(C4C2(O)CCCC4)CCCCC3)cc(c1OC)OC
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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 C23H34N2O4S MW 434.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34N2O4S/c1-27-17-13-16(14-18(28-2)20(17)29-3)15-25-21(30)24-22(10-6-4-7-11-22)19-9-5-8-12-23(19,25)26/h13-14,19,26H,4-12,15H2,1-3H3,(H,24,30)InChIKey
ICHRZXLXOHGBFZ-UHFFFAOYSA-NSynonyms
1010903-63-51010903635
8ahydroxy1((345trimethoxyphenyl)methyl)spiro(34a5678hexahydroquinazoline41cyclohexane)2thione
8ahydroxy1(345trimethoxybenzyl)hexahydro1Hspiro(cyclohexane14quinazoline)2(3H)thione
COC1=CC(=CC(=C1OC)OC)CN2C(=S)NC3(CCCCC3)C4C2(CCCC4)O
InChI=1SC23H34N2O4Sc127171316(1418(282)20(17)293)152521(30)2422(106471122)199581223(1925)26h13141926H41215H213H3(H2430)
MFCD12200145
ZINC000012322849
ZINC000012322852
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