Vitas-M small molecule compound
7-{[2-(5-methyl-3-nitro-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
STL405664
SMILES O=C(C(n1nc(cc1C)[N+](=O)[O-])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 C17H19N9O6S2 MW 509.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N9O6S2/c1-7-4-10(26(31)32)20-25(7)8(2)13(27)18-11-14(28)24-12(16(29)30)9(5-33-15(11)24)6-34-17-19-21-22-23(17)3/h4,8,11,15H,5-6H2,1-3H3,(H,18,27)(H,29,30)InChIKey
XXQHIEVIGDPRPS-UHFFFAOYSA-NSynonyms
1214040-48-81214040488
7((2(5methyl3nitro1Hpyrazol1yl)propanoyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(5METHYL3NITROPYRAZOL1YL)PROPANOYLAMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)(N+)(=O)(O)
InChI=1SC17H19N9O6S2c17410(26(31)32)2025(7)8(2)13(27)181114(28)2412(16(29)30)9(53315(11)24)6341719212223(17)3h481115H56H213H3(H1827)(H2930)
MFCD04140551
O=C(C(n1nc(cc1C)(N+)(=O)(O))C)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
ZINC000009431476
ZINC000022833763
Check stock
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Check stock on Vitas-MAvailable files
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