Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-[(3-carboxypropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK137689
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCC(=O)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 C14H16N2O8S MW 372.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O8S/c1-6(17)24-4-7-5-25-13-10(15-8(18)2-3-9(19)20)12(21)16(13)11(7)14(22)23/h10,13H,2-5H2,1H3,(H,15,18)(H,19,20)(H,22,23)InChIKey
ZZMHIFMVTNHEHA-UHFFFAOYSA-NSynonyms
3((ACETYLOXY)METHYL)7((3CARBOXYPROPANOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3(ACETYLOXYMETHYL)7((4HYDROXY4OXOBUTANOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3(acetyloxymethyl)7(3carboxypropanoylamino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCC(=O)O)SC1)C(=O)O
InChI=1SC14H16N2O8Sc16(17)24475251310(158(18)239(19)20)12(21)16(13)11(7)14(22)23h1013H25H21H3(H1518)(H1920)(H2223)
MFCD03201170
ZINC000009851542
ZINC000009851545
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