Vitas-M small molecule compound
dimethyl 2-{[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonothioyl]amino}benzene-1,4-dicarboxylate
Catalog ID
STL131431
SMILES COC(=O)c1ccc(cc1NC(=S)N1CC2CC(C1)c1n(C2)c(=O)ccc1)C(=O)OC
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-29-20(27)14-6-7-16(21(28)30-2)17(9-14)23-22(31)24-10-13-8-15(12-24)18-4-3-5-19(26)25(18)11-13/h3-7,9,13,15H,8,10-12H2,1-2H3,(H,23,31)InChIKey
YFBMUBWURXPHQP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3
dimethyl2(((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)benzene14dicarboxylate
InChI=1SC22H23N3O5Sc12920(27)146716(21(28)302)17(914)2322(31)241013815(1224)1843519(26)25(18)1113h3791315H81012H212H3(H2331)
MFCD14726232
ZINC000004767817
Check stock
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Check stock on Vitas-MAvailable files
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