Vitas-M small molecule compound
7-{[3-(5-methyl-3-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
STL403408
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCn1nc(cc1C)[N+](=O)[O-]
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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/c1-8-5-11(25(30)31)22-23(8)4-3-12(26)19-13-15(27)24-14(17(28)29)10(6-32-16(13)24)7-33-18-21-20-9(2)34-18/h5,13,16H,3-4,6-7H2,1-2H3,(H,19,26)(H,28,29)InChIKey
LIRXXRKOWBVBIO-UHFFFAOYSA-NSynonyms
1214023-24-11214023241
7((3(5methyl3nitro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(3(5methyl3nitropyrazol1yl)propanoylamino)3((5methyl134thiadiazol2yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=CC(=NN1CCC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)(N+)(=O)(O)
InChI=1SC18H19N7O6S3c18511(25(30)31)2223(8)4312(26)191315(27)2414(17(28)29)10(63216(13)24)7331821209(2)3418h51316H3467H212H3(H1926)(H2829)
MFCD04136733
O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCn1nc(cc1C)(N+)(=O)(O)
ZINC000097945403
ZINC000097945406
Check stock
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Check stock on Vitas-MAvailable files
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