Vitas-M small molecule compound
7-{[2-(4-chloro-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
STK256697
SMILES O=C(C(n1ncc(c1)Cl)C)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 C17H17ClN6O4S3 MW 501.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN6O4S3/c1-7(23-4-10(18)3-19-23)13(25)20-11-14(26)24-12(16(27)28)9(5-29-15(11)24)6-30-17-22-21-8(2)31-17/h3-4,7,11,15H,5-6H2,1-2H3,(H,20,25)(H,27,28)InChIKey
LEANVNGAASSOPT-UHFFFAOYSA-NSynonyms
7((2(4chloro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(4CHLOROPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C)N4C=C(C=N4)Cl)SC2)C(=O)O
InChI=1SC17H17ClN6O4S3c17(23410(18)31923)13(25)201114(26)2412(16(27)28)9(52915(11)24)6301722218(2)3117h3471115H56H212H3(H2025)(H2728)
MFCD08680757
ZINC000009355859
ZINC000103147381
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