Vitas-M small molecule compound
N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}methionine
Catalog ID
STL553413
SMILES CSCCC(C(=O)O)NC(=S)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 C17H23N3O3S2 MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O3S2/c1-25-6-5-13(16(22)23)18-17(24)19-8-11-7-12(10-19)14-3-2-4-15(21)20(14)9-11/h2-4,11-13H,5-10H2,1H3,(H,18,24)(H,22,23)/t11-,12?,13?/m0/s1InChIKey
BAWLQDPSTMSAIC-HIFPTAJRSA-NSynonyms
16399994
4(methylthio)2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)butanoicacid
4methylsulfanyl2(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)butanoicacid
CSCCC(C(=O)O)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC17H23N3O3S2c1256513(16(22)23)1817(24)19811712(1019)1432415(21)20(14)911h241113H510H21H3(H1824)(H2223)t1112?13?m0s1
N(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)methionine
ZINC000002108024
ZINC000002108026
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