Vitas-M small molecule compound
(6R,7R)-3-[(acetyloxy)methyl]-7-{[(2E)-2-(2-amino-1,3-thiazol-5-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL525722
SMILES CO/N=C(/c1cnc(s1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C
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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 C16H17N5O7S2 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O7S2/c1-6(22)28-4-7-5-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-3-18-16(17)30-8/h3,10,14H,4-5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1InChIKey
AMPQLDISGJURTP-QSWIMTSFSA-NSynonyms
(6~(R)7~(R))3(acetyloxymethyl)7(((2~(E))2(2amino13thiazol5yl)2methoxyiminoacetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
(6R7R)3((acetyloxy)methyl)7(((2E)2(2amino13thiazol5yl)2(methoxyimino)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
(6R7R)3(acetoxymethyl)7((E)2(2aminothiazol5yl)2(methoxyimino)acetamido)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
16395132
CON=C(c1cnc(s1)N)C(=O)N(C@@H)1C(=O)N2(C@@H)1SCC(=C2C(=O)O)COC(=O)C
InChI=1SC16H17N5O7S2c16(22)28475291410(13(24)21(14)11(7)15(25)26)1912(23)9(20272)831816(17)308h31014H45H212H3(H21718)(H1923)(H2526)b209t1014m1s1
MFCD01543747
ZINC000008739991
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