Vitas-M small molecule compound
7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Catalog ID
STK177295
SMILES CO/N=C(\c1csc(n1)N)/C(=O)NC1C(=O)N2C1SCC(=C2C(=O)[O-])CSc1nc(=O)c(nn1C)O
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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 C18H17N8O7S3 MW 553.58 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,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/p-1/b24-8+InChIKey
VAAUVRVFOQPIGI-KTZMUZOWSA-MSynonyms
3((7(((2E)2(2amino13thiazol4yl)2methoxyiminoacetyl)amino)2carboxy8oxo5thia1azabicyclo(420)oct2en3yl)methylsulfanyl)2methyl5oxo124triazin6olate
7(((2E)2(2AMINO13THIAZOL4YL)2(METHOXYIMINO)ACETYL)AMINO)3(((6HYDROXY2METHYL5OXO25DIHYDRO124TRIAZIN3YL)SULFANYL)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLAT
CN1C(=NC(=O)C(=N1)(O))SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
CON=C(c1csc(n1)N)C(=O)N(C@@H)1C(=O)N2(C@@H)1SCC(=C2C(=O)(O))CSc1nc(=O)c(nn1C)O(Na+)
CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)(O))CSc1nc(=O)c(nn1C)O
InChI=1SC18H18N8O7S3c12518(2212(28)13(29)2325)3646334159(14(30)26(15)10(6)16(31)32)2111(27)8(24332)753517(19)207h5915H34H212H3(H21920)(H2127)(H2329)(H3132)p1b248+
MFCD03261321
sodium(6R7R)7((E)2(2aminothiazol4yl)2(methoxyimino)acetamido)3(((6hydroxy2methyl5oxo25dihydro124triazin3yl)thio)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
ZINC000008584434
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