Vitas-M small molecule compound
4-methoxy-N-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonothioyl]benzamide
Catalog ID
STL526867
SMILES COc1ccc(cc1)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-26-16-7-5-14(6-8-16)19(25)21-20(27)22-10-13-9-15(12-22)17-3-2-4-18(24)23(17)11-13/h2-8,13,15H,9-12H2,1H3,(H,21,25,27)/t13-,15?/m0/s1InChIKey
WDBPBHIDKXMEII-CFMCSPIPSA-NSynonyms
4methoxyN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)benzamide
4methoxyN((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)benzamide
COc1ccc(cc1)C(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC20H21N3O3Sc126167514(6816)19(25)2120(27)221013915(1222)1732418(24)23(17)1113h281315H912H21H3(H212527)t1315?m0s1
MFCD03006233
ZINC000006469042
Check stock
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Check stock on Vitas-MAvailable files
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