Vitas-M small molecule compound
7-{[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]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
STL403242
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(c(c1C)Cl)C)C
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Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H21ClN6O4S3 MW 529.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6O4S3/c1-7-12(20)8(2)26(24-7)9(3)15(27)21-13-16(28)25-14(18(29)30)11(5-31-17(13)25)6-32-19-23-22-10(4)33-19/h9,13,17H,5-6H2,1-4H3,(H,21,27)(H,29,30)InChIKey
GJSFKTMPTNFHKN-UHFFFAOYSA-NSynonyms
1214023-26-31214023263
7((2(4chloro35dimethyl1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(4chloro35dimethylpyrazol1yl)propanoylamino)3((5methyl134thiadiazol2yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=C(C(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C)Cl
InChI=1SC19H21ClN6O4S3c1712(20)8(2)26(247)9(3)15(27)211316(28)2514(18(29)30)11(53117(13)25)63219232210(4)3319h91317H56H214H3(H2127)(H2930)
MFCD04136747
ZINC000097945476
ZINC000226390579
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