Vitas-M small molecule compound
7-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK305097
SMILES O=C1C(NC(=O)c2cnn(c2)C)C2N1C(=C(CS2)CSc1nnc(s1)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 C16H16N6O4S3 MW 452.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O4S3/c1-7-19-20-16(29-7)28-6-9-5-27-14-10(13(24)22(14)11(9)15(25)26)18-12(23)8-3-17-21(2)4-8/h3-4,10,14H,5-6H2,1-2H3,(H,18,23)(H,25,26)InChIKey
FOSIKGJBSWWILV-UHFFFAOYSA-NSynonyms
1214660-93-11214660931
7(((1methyl1Hpyrazol4yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((1METHYLPYRAZOLE4CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CN(N=C4)C)SC2)C(=O)O
InChI=1SC16H16N6O4S3c17192016(297)28695271410(13(24)22(14)11(9)15(25)26)1812(23)831721(2)48h341014H56H212H3(H1823)(H2526)
MFCD04049379
ZINC000002784103
ZINC000002784106
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