Vitas-M small molecule compound
7-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK305000
SMILES CCn1nc(c(c1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C)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 C15H18N4O4S MW 350.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O4S/c1-4-18-5-9(8(3)17-18)12(20)16-10-13(21)19-11(15(22)23)7(2)6-24-14(10)19/h5,10,14H,4,6H2,1-3H3,(H,16,20)(H,22,23)InChIKey
IJOXKHNJMVSZKD-UHFFFAOYSA-NSynonyms
1214117-03-91214117039
7(((1ethyl3methyl1Hpyrazol4yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((1ETHYL3METHYLPYRAZOLE4CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C=C(C(=N1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O
InChI=1SC15H18N4O4Sc141859(8(3)1718)12(20)161013(21)1911(15(22)23)7(2)62414(10)19h51014H46H213H3(H1620)(H2223)
MFCD04049594
ZINC000002782906
ZINC000002782909
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