Vitas-M small molecule compound
7-{[(1,3-dimethyl-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
STK384699
SMILES O=C1C(NC(=O)c2cn(nc2C)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 C17H18N6O4S3 MW 466.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O4S3/c1-7-10(4-22(3)21-7)13(24)18-11-14(25)23-12(16(26)27)9(5-28-15(11)23)6-29-17-20-19-8(2)30-17/h4,11,15H,5-6H2,1-3H3,(H,18,24)(H,26,27)InChIKey
OKZBUYHYBIHDNS-UHFFFAOYSA-NSynonyms
1214802-18-21214802182
7(((13dimethyl1Hpyrazol4yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((13DIMETHYLPYRAZOLE4CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C
InChI=1SC17H18N6O4S3c1710(422(3)217)13(24)181114(25)2312(16(26)27)9(52815(11)23)6291720198(2)3017h41115H56H213H3(H1824)(H2627)
MFCD04049169
ZINC000002782647
ZINC000002782650
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