Vitas-M small molecule compound

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

Catalog ID
STL535558
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1cccc2c1non2

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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 C18H17N5O2S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O2S/c24-16-6-2-5-15-12-7-11(9-23(15)16)8-22(10-12)18(26)19-13-3-1-4-14-17(13)21-25-20-14/h1-6,11-12H,7-10H2,(H,19,26)/t11-,12+/m0/s1
InChIKey
GBYCFUIFOBXNKV-NWDGAFQWSA-N
Synonyms
1014103-35-5
(1~(R)9~(R))~(N)(213benzoxadiazol4yl)6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioamide
(1R5R)N(benzo(c)(125)oxadiazol4yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S5R)N(213benzoxadiazol4yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
1014103355
17571746
InChI=1SC18H17N5O2Sc24166251512711(923(15)16)822(1012)18(26)19133141417(13)21252014h161112H710H2(H1926)t1112+m0s1
MFCD09843395
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Nc1cccc2c1non2
ZINC000012899092
ZINC12899092

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Available files

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