Vitas-M small molecule compound
7-{[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK305686
SMILES O=C(C(Cn1ncc(c1)[N+](=O)[O-])C)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C18H19N7O6S3 MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O6S3/c1-8(4-23-5-11(3-19-23)25(30)31)14(26)20-12-15(27)24-13(17(28)29)10(6-32-16(12)24)7-33-18-22-21-9(2)34-18/h3,5,8,12,16H,4,6-7H2,1-2H3,(H,20,26)(H,28,29)InChIKey
KMNKNWDZJLEEIQ-UHFFFAOYSA-NSynonyms
1097183-82-81097183828
7((2methyl3(4nitro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2METHYL3(4NITROPYRAZOL1YL)PROPANOYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C)CN4C=C(C=N4)(N+)(=O)(O))SC2)C(=O)O
InChI=1SC18H19N7O6S3c18(423511(31923)25(30)31)14(26)201215(27)2413(17(28)29)10(63216(12)24)7331822219(2)3418h3581216H467H212H3(H2026)(H2829)
MFCD04045878
O=C(C(Cn1ncc(c1)(N+)(=O)(O))C)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C
ZINC000097945393
ZINC000226594294
Check stock
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Check stock on Vitas-MAvailable files
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