Vitas-M small molecule compound
7-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK967651
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)NC1C(=O)N2C1SCC(=C2C(=O)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 C14H15N5O6S MW 381.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N5O6S/c1-3-17-4-7(19(24)25)8(16-17)11(20)15-9-12(21)18-10(14(22)23)6(2)5-26-13(9)18/h4,9,13H,3,5H2,1-2H3,(H,15,20)(H,22,23)InChIKey
NGSKRILROMZBSL-UHFFFAOYSA-NSynonyms
7(((1ethyl4nitro1Hpyrazol3yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((1ETHYL4NITROPYRAZOLE3CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C=C(C(=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C
InChI=1SC14H15N5O6Sc131747(19(24)25)8(1617)11(20)15912(21)1810(14(22)23)6(2)52613(9)18h4913H35H212H3(H1520)(H2223)
MFCD04048125
ZINC000002739647
ZINC000002739650
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