Vitas-M small molecule compound

3-methyl-7-{[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide

Catalog ID
STL394699
SMILES CCCNC(=O)C1=C(C)CSC2N1C(=O)C2NC(=O)c1nn(cc1[N+](=O)[O-])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 C16H20N6O5S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N6O5S/c1-4-5-17-14(24)12-8(2)7-28-16-11(15(25)21(12)16)18-13(23)10-9(22(26)27)6-20(3)19-10/h6,11,16H,4-5,7H2,1-3H3,(H,17,24)(H,18,23)
InChIKey
JQKIFYMNBIMXSZ-UHFFFAOYSA-N
Synonyms
1214660-64-6
1214660646
3METHYL7(((1METHYL4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)8OXONPROPYL5THIA1AZABICYCLO(420)OCT2ENE2CARBOXAMIDE
3METHYL7((1METHYL4NITROPYRAZOLE3CARBONYL)AMINO)8OXONPROPYL5THIA1AZABICYCLO(420)OCT2ENE2CARBOXAMIDE
CCCNC(=O)C1=C(C)CSC2N1C(=O)C2NC(=O)c1nn(cc1(N+)(=O)(O))C
CCCNC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C3=NN(C=C3(N+)(=O)(O))C)C
InChI=1SC16H20N6O5Sc1451714(24)128(2)7281611(15(25)21(12)16)1813(23)109(22(26)27)620(3)1910h61116H457H213H3(H1724)(H1823)
MFCD04050373
ZINC000002785576
ZINC000002785579

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Available files

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