Vitas-M small molecule compound
(6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Catalog ID
STL552691
SMILES CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nc(=O)c(=O)[n-]n1C
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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 C18H16N8O7S3 MW 552.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32)/p-2/b24-8+/t9-,15-/m1/s1InChIKey
PGSFBGXNEHRYRA-TYHRLYECSA-LSynonyms
(6R7R)7(((2E)2(2amino13thiazol4yl)2(methoxyimino)acetyl)amino)3(((2methyl56dioxo56dihydro2H124triazin1id3yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
CON=C(c1csc(n1)N)C(=O)N(C@@H)1C(=O)N2(C@@H)1SCC(=C2C(=O)(O))CSc1nc(=O)c(=O)(n)n1C(Na+)(Na+)
InChI=1SC18H18N8O7S3c12518(2212(28)13(29)2325)3646334159(14(30)26(15)10(6)16(31)32)2111(27)8(24332)753517(19)207h5915H34H212H3(H51920212327293132)p2b248+t915m1s1
sodium3((((6R7R)7((E)2(2aminothiazol4yl)2(methoxyimino)acetamido)2carboxylato8oxo5thia1azabicyclo(420)oct2en3yl)methyl)thio)2methyl56dioxo56dihydro2H124triazin1ide
ZINC000334160155
Check stock
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