Vitas-M small molecule compound
(1S,5S)-N-(bicyclo[2.2.1]hept-2-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Catalog ID
STL553371
SMILES S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NC1CC2CC1CC2
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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 C19H25N3OS MW 343.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3OS/c23-18-3-1-2-17-15-7-13(10-22(17)18)9-21(11-15)19(24)20-16-8-12-4-5-14(16)6-12/h1-3,12-16H,4-11H2,(H,20,24)/t12?,13-,14?,15?,16?/m0/s1InChIKey
ZXDYINSNNCZYMI-KHXRNHLQSA-NSynonyms
1212450-73-1(1R5R)N((1S4R)bicyclo(221)heptan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S5S)N(bicyclo(221)hept2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
(9~(R))~(N)(2bicyclo(221)heptanyl)6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioamide
1212450731
16400956
InChI=1SC19H25N3OSc23183121715713(1022(17)18)921(1115)19(24)20168124514(16)612h131216H411H2(H2024)t12?1314?15?16?m0s1
S=C(N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC1CC2CC1CC2
ZINC000102813436
ZINC000102813442
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