Vitas-M small molecule compound
(1S,5R)-8-oxo-N-(pyridin-3-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Catalog ID
STL566005
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1cccnc1
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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 C17H18N4OS MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4OS/c22-16-5-1-4-15-13-7-12(10-21(15)16)9-20(11-13)17(23)19-14-3-2-6-18-8-14/h1-6,8,12-13H,7,9-11H2,(H,19,23)/t12-,13+/m0/s1InChIKey
ZDMLSSJRDUBJQS-QWHCGFSZSA-NSynonyms
(1R5R)8oxoN(pyridin3yl)4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1R9R)6oxoNpyridin3yl711diazatricyclo(731027)trideca24diene11carbothioamide
(1S5R)8oxoN(pyridin3yl)1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
99885666
InChI=1SC17H18N4OSc22165141513712(1021(15)16)920(1113)17(23)191432618814h1681213H7911H2(H1923)t1213+m0s1
MFCD32651799
S=C(N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Nc1cccnc1
ZINC000100788822
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