Vitas-M small molecule compound
7-{[2-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanoyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405675
SMILES CC(n1nc(c(c1)Cl)C)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
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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 C17H19ClN8O4S2 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN8O4S2/c1-7-10(18)4-25(21-7)8(2)13(27)19-11-14(28)26-12(16(29)30)9(5-31-15(11)26)6-32-17-20-22-23-24(17)3/h4,8,11,15H,5-6H2,1-3H3,(H,19,27)(H,29,30)InChIKey
FTBJSGFGEYXEHS-UHFFFAOYSA-NSynonyms
1214045-26-71214045267
7((2(4chloro3methyl1Hpyrazol1yl)propanoyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4CHLORO3METHYL1HPYRAZOL1YL)PROPANOYL)AMINO)3(((1METHYL1HTETRAZOL5YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7(2(4CHLORO3METHYLPYRAZOL1YL)PROPANOYLAMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1Cl)C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O
InChI=1SC17H19ClN8O4S2c1710(18)425(217)8(2)13(27)191114(28)2612(16(29)30)9(53115(11)26)6321720222324(17)3h481115H56H213H3(H1927)(H2930)
MFCD05667371
ZINC000009431508
ZINC000013144727
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.