Vitas-M small molecule compound

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

Catalog ID
STL440285
SMILES S=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)NCc1ccccc1

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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 C19H21N3OS MW 339.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3OS/c23-18-8-4-7-17-16-9-15(12-22(17)18)11-21(13-16)19(24)20-10-14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H,20,24)
InChIKey
DDJSRCGMAWOKIV-UHFFFAOYSA-N
Synonyms
399001-72-0
(1R5R)Nbenzyl8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
399001720
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NCC4=CC=CC=C4
InChI=1SC19H21N3OSc23188471716915(1222(17)18)1121(1316)19(24)2010145213614h181516H913H2(H2024)
MFCD02927393
Nbenzyl8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
S=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NCc1ccccc1
ZINC000100647345

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Available files

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