Vitas-M small molecule compound

7-{[(3-fluorophenyl)carbonyl]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
STK256703
SMILES Fc1cccc(c1)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 C17H15FN6O4S2 MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15FN6O4S2/c1-23-17(20-21-22-23)30-7-9-6-29-15-11(14(26)24(15)12(9)16(27)28)19-13(25)8-3-2-4-10(18)5-8/h2-5,11,15H,6-7H2,1H3,(H,19,25)(H,27,28)
InChIKey
KKJSIRIPNAPYDN-UHFFFAOYSA-N
Synonyms

7(((3fluorophenyl)carbonyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((3FLUOROBENZOYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC(=CC=C4)F)SC2)C(=O)O
InChI=1SC17H15FN6O4S2c12317(20212223)30796291511(14(26)24(15)12(9)16(27)28)1913(25)832410(18)58h251115H67H21H3(H1925)(H2728)
MFCD08680763
ZINC000009355864
ZINC000009431585

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Available files

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