Vitas-M small molecule compound
(1S,5S)-3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-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
STL465704
SMILES CCOCCCN1C(=S)S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O
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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 C20H25N3O3S2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S2/c1-2-26-8-4-7-22-19(25)17(28-20(22)27)13-21-10-14-9-15(12-21)16-5-3-6-18(24)23(16)11-14/h3,5-6,13-15H,2,4,7-12H2,1H3/b17-13-/t14-,15+/m0/s1InChIKey
MIIUIDCZQZRCGB-MDSFCDFBSA-NSynonyms
(1S5S)3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(Z)3(3ethoxypropyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methylene)2thioxothiazolidin4one
CCOCCCN1C(=S)SC(=CN2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C1=O
CCOCCCN1C(=S)SC(=CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C1=O
MFCD09795271
ZINC000100789091
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