Vitas-M small molecule compound
tert-butyl 2-(3,4-dimethylphenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Catalog ID
STL134106
SMILES O=C(N1CCC2(CC1)NC(=S)C(=N2)c1ccc(c(c1)C)C)OC(C)(C)C
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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 C20H27N3O2S MW 373.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O2S/c1-13-6-7-15(12-14(13)2)16-17(26)22-20(21-16)8-10-23(11-9-20)18(24)25-19(3,4)5/h6-7,12H,8-11H2,1-5H3,(H,22,26)InChIKey
JBIYQYARYUVLPM-UHFFFAOYSA-NSynonyms
892299-26-2892299262
CC1=C(C=C(C=C1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)NC2=S)C
InChI=1SC20H27N3O2Sc1136715(1214(13)2)1617(26)2220(2116)81023(11920)18(24)2519(34)5h6712H811H215H3(H2226)
MFCD14726870
TERTBUTYL2(34DIMETHYLPHENYL)3SULFANYLIDENE148TRIAZASPIRO(45)DEC1ENE8CARBOXYLATE
tertbutyl2(34dimethylphenyl)3thioxo148triazaspiro(45)dec1ene8carboxylate
tertbutyl3(34dimethylphenyl)2sulfanylidene148triazaspiro(45)dec3ene8carboxylate
ZINC000006817145
ZINC6817145
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