Vitas-M small molecule compound
(1S,5S)-3-[(Z)-(3-cyclopentyl-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
STL466367
SMILES S=C1S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C(=O)N1C1CCCC1
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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 C20H23N3O2S2 MW 401.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O2S2/c24-18-7-3-6-16-14-8-13(10-22(16)18)9-21(11-14)12-17-19(25)23(20(26)27-17)15-4-1-2-5-15/h3,6-7,12-15H,1-2,4-5,8-11H2/b17-12-/t13-,14+/m0/s1InChIKey
ZTSUMHXBMLBMSL-ALRNZDJHSA-NSynonyms
(1S5S)3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(Z)3cyclopentyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methylene)2thioxothiazolidin4one
C1CCC(C1)N2C(=O)C(=CN3CC4CC(C3)C5=CC=CC(=O)N5C4)SC2=S
InChI=1SC20H23N3O2S2c24187361614813(1022(16)18)921(1114)121719(25)23(20(26)2717)15412515h3671215H1245811H2b1712t1314+m1s1
S=C1SC(=CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N1C1CCCC1
S=C1SC(=CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N1C1CCCC1
ZINC000100788629
ZINC08764804
ZINC8764804
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