Vitas-M small molecule compound
7-{[(5-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]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
STL405676
SMILES O=C(Cn1ncc(c1C)[N+](=O)[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 C16H17N9O6S2 MW 495.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N9O6S2/c1-7-9(25(30)31)3-17-23(7)4-10(26)18-11-13(27)24-12(15(28)29)8(5-32-14(11)24)6-33-16-19-20-21-22(16)2/h3,11,14H,4-6H2,1-2H3,(H,18,26)(H,28,29)InChIKey
CEHKSBHEZISPNB-UHFFFAOYSA-NSynonyms
1214153-08-81214153088
7(((5methyl4nitro1Hpyrazol1yl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(5METHYL4NITROPYRAZOL1YL)ACETYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)(N+)(=O)(O)
InChI=1SC16H17N9O6S2c179(25(30)31)31723(7)410(26)181113(27)2412(15(28)29)8(53214(11)24)6331619202122(16)2h31114H46H212H3(H1826)(H2829)
MFCD05667344
O=C(Cn1ncc(c1C)(N+)(=O)(O))NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
ZINC000009431514
ZINC000009431520
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