Vitas-M small molecule compound
7-{[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoyl]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
STL403106
SMILES CCC(n1nc(c(c1C)Cl)C)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C20H23ClN6O4S3 MW 543.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN6O4S3/c1-5-12(27-9(3)13(21)8(2)25-27)16(28)22-14-17(29)26-15(19(30)31)11(6-32-18(14)26)7-33-20-24-23-10(4)34-20/h12,14,18H,5-7H2,1-4H3,(H,22,28)(H,30,31)InChIKey
ZJZIJNIHLGQSQC-UHFFFAOYSA-NSynonyms
1214797-35-91214797359
7((2(4chloro35dimethyl1Hpyrazol1yl)butanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(4chloro35dimethylpyrazol1yl)butanoylamino)3((5methyl134thiadiazol2yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CCC(C(=O)NC1C2N(C1=O)C(=C(CS2)CSC3=NN=C(S3)C)C(=O)O)N4C(=C(C(=N4)C)Cl)C
InChI=1SC20H23ClN6O4S3c1512(279(3)13(21)8(2)2527)16(28)221417(29)2615(19(30)31)11(63218(14)26)73320242310(4)3420h121418H57H214H3(H2228)(H3031)
MFCD04139970
ZINC000002730745
ZINC000226393350
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