Vitas-M small molecule compound
3,4-dimethoxy-N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}benzamide
Catalog ID
STL553081
SMILES COc1ccc(cc1OC)C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-27-17-7-6-14(9-18(17)28-2)20(26)22-21(29)23-10-13-8-15(12-23)16-4-3-5-19(25)24(16)11-13/h3-7,9,13,15H,8,10-12H2,1-2H3,(H,22,26,29)/t13-,15?/m0/s1InChIKey
DSNBJZDRWMZWQT-CFMCSPIPSA-NSynonyms
135640873
34dimethoxy~(N)((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)benzamide
34dimethoxyN(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)benzamide
34dimethoxyN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)benzamide
COc1ccc(cc1OC)C(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H23N3O4Sc127177614(918(17)282)20(26)2221(29)231013815(1223)1643519(25)24(16)1113h3791315H81012H212H3(H222629)t1315?m0s1
ZINC000016041707
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