Vitas-M small molecule compound
tert-butyl 9-hydroxy-9-methyl-7-phenyl-3-thioxo-1,2,4-triazaspiro[4.5]decane-6-carboxylate
Catalog ID
STK695125
SMILES S=C1NNC2(N1)CC(C)(O)CC(C2C(=O)OC(C)(C)C)c1ccccc1
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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 C19H27N3O3S MW 377.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N3O3S/c1-17(2,3)25-15(23)14-13(12-8-6-5-7-9-12)10-18(4,24)11-19(14)20-16(26)21-22-19/h5-9,13-14,22,24H,10-11H2,1-4H3,(H2,20,21,26)InChIKey
OHDUBVHHVRLISK-UHFFFAOYSA-NSynonyms
CC1(CC(C(C2(C1)NC(=S)NN2)C(=O)OC(C)(C)C)C3=CC=CC=C3)O
InChI=1SC19H27N3O3Sc117(23)2515(23)1413(128657912)1018(424)1119(14)2016(26)212219h5913142224H1011H214H3(H2202126)
MFCD12035364
tertbutyl9hydroxy9methyl7phenyl3sulfanylidene124triazaspiro(45)decane6carboxylate
tertbutyl9hydroxy9methyl7phenyl3thioxo124triazaspiro(45)decane6carboxylate
ZINC000035327149
ZINC000245256301
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