Vitas-M small molecule compound

(1S,5R)-N-(4-acetylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

Catalog ID
STK686118
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc(cc1)C(=O)C

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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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-13(24)15-5-7-17(8-6-15)21-20(26)22-10-14-9-16(12-22)18-3-2-4-19(25)23(18)11-14/h2-8,14,16H,9-12H2,1H3,(H,21,26)/t14-,16+/m0/s1
InChIKey
WQSZINMNUGXRHB-GOEBONIOSA-N
Synonyms
1087709-49-6
(1R5R)N(4acetylphenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S5R)N(4acetylphenyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
1087709496
MFCD03661317
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Nc1ccc(cc1)C(=O)C
S=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Nc1ccc(cc1)C(=O)C
ZINC000100191051

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Available files

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