Vitas-M small molecule compound

3-[(acetyloxy)methyl]-7-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STL399901
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1ccn(n1)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 C15H16N4O6S MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O6S/c1-7(20)25-5-8-6-26-14-10(13(22)19(14)11(8)15(23)24)16-12(21)9-3-4-18(2)17-9/h3-4,10,14H,5-6H2,1-2H3,(H,16,21)(H,23,24)
InChIKey
CAUZEDJMVXRSAE-UHFFFAOYSA-N
Synonyms
1214663-28-1
1214663281
3((ACETYLOXY)METHYL)7(((1METHYL1HPYRAZOL3YL)CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3(ACETYLOXYMETHYL)7((1METHYLPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3)C)SC1)C(=O)O
InChI=1SC15H16N4O6Sc17(20)25586261410(13(22)19(14)11(8)15(23)24)1612(21)93418(2)179h341014H56H212H3(H1621)(H2324)
MFCD03468628
ZINC000017077699
ZINC000017077702

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Available files

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