Vitas-M small molecule compound

3-[(acetyloxy)methyl]-7-{[(2E)-2-(5-aminothiophen-3-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK371788
SMILES CO/N=C(\c1csc(c1)N)/C(=O)NC1C(=O)N2C1SCC(=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 C17H18N4O7S2 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O7S2/c1-7(22)28-4-9-6-30-16-12(15(24)21(16)13(9)17(25)26)19-14(23)11(20-27-2)8-3-10(18)29-5-8/h3,5,12,16H,4,6,18H2,1-2H3,(H,19,23)(H,25,26)/b20-11+
InChIKey
WTQSSTPOJHIDCX-RGVLZGJSSA-N
Synonyms

3((acetyloxy)methyl)7(((2E)2(5aminothiophen3yl)2(methoxyimino)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(acetyloxymethyl)7(((2E)2(5aminothiophen3yl)2methoxyiminoacetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2E)2(5AMINO(3THIENYL))3METHOXY3AZAPROP2ENOYLAMINO)3(ACETYLOXYMETHYL)6OXO2H7H7AHAZETIDINO(21B)13THIAZINE4CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=C3)N)SC1)C(=O)O
CON=C(c1csc(c1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C
InChI=1SC17H18N4O7S2c17(22)28496301612(15(24)21(16)13(9)17(25)26)1914(23)11(20272)8310(18)2958h351216H4618H212H3(H1923)(H2526)b2011+
MFCD00767916
ZINC000004066582
ZINC000004066587

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.