Vitas-M small molecule compound
ethyl 5-{[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonyl]amino}-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL442116
SMILES CCOC(=O)c1nnsc1NC(=O)N1CC2CC(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 C17H19N5O4S MW 389.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O4S/c1-2-26-16(24)14-15(27-20-19-14)18-17(25)21-7-10-6-11(9-21)12-4-3-5-13(23)22(12)8-10/h3-5,10-11H,2,6-9H2,1H3,(H,18,25)InChIKey
SCMLXYUIAZIUNJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SN=N1)NC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3
ethyl5(((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)amino)123thiadiazole4carboxylate
InChI=1SC17H19N5O4Sc122616(24)1415(27201914)1817(25)21710611(921)1243513(23)22(12)810h351011H269H21H3(H1825)
MFCD09992832
ZINC000033436047
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