Vitas-M small molecule compound
7-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL403355
SMILES O=C1C(NC(=O)c2cc(nn2C)C)C2N1C(=C(CS2)C)C(=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 C14H16N4O4S MW 336.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O4S/c1-6-5-23-13-9(12(20)18(13)10(6)14(21)22)15-11(19)8-4-7(2)16-17(8)3/h4,9,13H,5H2,1-3H3,(H,15,19)(H,21,22)InChIKey
DSYBZMSBGFXEOB-UHFFFAOYSA-NSynonyms
1214045-50-71214045507
7(((13dimethyl1Hpyrazol5yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((25DIMETHYLPYRAZOLE3CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=CC(=NN3C)C)SC1)C(=O)O
InChI=1SC14H16N4O4Sc16523139(12(20)18(13)10(6)14(21)22)1511(19)847(2)1617(8)3h4913H5H213H3(H1519)(H2122)
MFCD04049591
ZINC000002783374
ZINC000002783377
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