Vitas-M small molecule compound
(1S,5S)-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL466368
SMILES S=C1S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C(=O)N1CC1CCCO1
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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 C20H23N3O3S2 MW 417.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S2/c24-18-5-1-4-16-14-7-13(9-22(16)18)8-21(10-14)12-17-19(25)23(20(27)28-17)11-15-3-2-6-26-15/h1,4-5,12-15H,2-3,6-11H2/b17-12-/t13-,14+,15?/m0/s1InChIKey
JKMBXYXFPVOBRR-BYJOURICSA-NSynonyms
(1S5S)3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(Z)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
MFCD09795617
S=C1SC(=CN2C(C@H)3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N1CC1CCCO1
ZINC000103508793
ZINC000103789625
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