Vitas-M small molecule compound
(5R)-3-{3-[(5E)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL524926
SMILES COc1cccc(c1)/C=C\1/SC(=S)N(C1=O)CCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
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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 C25H25N3O4S2 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S2/c1-32-19-5-2-4-16(11-19)12-21-24(31)27(25(33)34-21)9-8-22(29)26-13-17-10-18(15-26)20-6-3-7-23(30)28(20)14-17/h2-7,11-12,17-18H,8-10,13-15H2,1H3/b21-12+/t17-,18?/m0/s1InChIKey
CSFKLDGUXIUJHW-FZKFIJMFSA-NSynonyms
(5R)3(3((5E)5(3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(E)5(3methoxybenzylidene)3(3oxo3((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propyl)2thioxothiazolidin4one
COc1cccc(c1)C=C1SC(=S)N(C1=O)CCC(=O)N1C(C@H)2CC(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H25N3O4S2c1321952416(1119)122124(31)27(25(33)3421)9822(29)2613171018(1526)2063723(30)28(20)1417h2711121718H8101315H21H3b2112+t1718?m0s1
MFCD02115006
ZINC000100744841
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