Vitas-M small molecule compound

N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-D-methionine

Catalog ID
STK801606
SMILES CSCC[C@H](C(=O)O)NC(=O)N1C[C@H]2C[C@@H](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 C17H23N3O4S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O4S/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/s1
InChIKey
OQKPFTGTVANENL-YNEHKIRRSA-N
Synonyms

(S)4(methylthio)2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carboxamido)butanoicacid
CSCC(C@@H)(C(=O)O)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
CSCC(C@H)(C(=O)O)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
CSCCC(C(=O)O)NC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2
InChI=1SC17H23N3O4Sc1256513(16(22)23)1817(24)19811712(1019)1432415(21)20(14)911h241113H510H21H3(H1824)(H2223)t1112+13m1s1
MFCD13372537
N(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)Dmethionine
ZINC000100117223
ZINC6408270

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Available files

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