Vitas-M small molecule compound
3,5-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
STK779860
SMILES COc1cc(OC)cc(c1)C(=O)NC(=S)N1C[C@H]2C[C@@H](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/c1-27-16-7-14(8-17(9-16)28-2)20(26)22-21(29)23-10-13-6-15(12-23)18-4-3-5-19(25)24(18)11-13/h3-5,7-9,13,15H,6,10-12H2,1-2H3,(H,22,26,29)/t13-,15+/m0/s1InChIKey
UBZYZLLHTDJVEC-DZGCQCFKSA-NSynonyms
1246370-02-41246370024
35dimethoxyN(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)benzamide
35dimethoxyN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)benzamide
COC1=CC(=CC(=C1)C(=O)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3)OC
COc1cc(OC)cc(c1)C(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
COc1cc(OC)cc(c1)C(=O)NC(=S)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H23N3O4Sc12716714(817(916)282)20(26)2221(29)231013615(1223)1843519(25)24(18)1113h35791315H61012H212H3(H222629)t1315+m1s1
MFCD13372215
ZINC000100181943
ZINC01069784
ZINC1069784
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.