Vitas-M small molecule compound

7-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoyl]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
STL405690
SMILES O=C(C(Cn1nc(c(c1C)Cl)C)C)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 C19H23ClN8O4S2 MW 527.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN8O4S2/c1-8(5-27-10(3)12(20)9(2)23-27)15(29)21-13-16(30)28-14(18(31)32)11(6-33-17(13)28)7-34-19-22-24-25-26(19)4/h8,13,17H,5-7H2,1-4H3,(H,21,29)(H,31,32)
InChIKey
XPDFDNWFYOOUMJ-UHFFFAOYSA-N
Synonyms
1214798-52-3
1214798523
7((3(4chloro35dimethyl1Hpyrazol1yl)2methylpropanoyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((3(4CHLORO35DIMETHYLPYRAZOL1YL)2METHYLPROPANOYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C)Cl
InChI=1SC19H23ClN8O4S2c18(52710(3)12(20)9(2)2327)15(29)211316(30)2814(18(31)32)11(63317(13)28)7341922242526(19)4h81317H57H214H3(H2129)(H3132)
MFCD04139845
ZINC000097945443
ZINC000226393211

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Available files

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