Vitas-M small molecule compound
3-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
STL391514
SMILES O=C1C(NC(=O)c2ccn(n2)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 C13H14N4O4S MW 322.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O4S/c1-6-5-22-12-8(11(19)17(12)9(6)13(20)21)14-10(18)7-3-4-16(2)15-7/h3-4,8,12H,5H2,1-2H3,(H,14,18)(H,20,21)InChIKey
ILTWKXWHLKKWPC-UHFFFAOYSA-NSynonyms
1008672-87-41008672874
3methyl7(((1methyl1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3METHYL7((1METHYLPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3)C)SC1)C(=O)O
InChI=1SC13H14N4O4Sc16522128(11(19)17(12)9(6)13(20)21)1410(18)73416(2)157h34812H5H212H3(H1418)(H2021)
MFCD03468250
ZINC000002735295
ZINC000002735298
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