Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405648
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCCn1ncc(c1)[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/c1-9-21-22-18(34-9)33-8-10-7-32-16-13(15(27)24(16)14(10)17(28)29)20-12(26)3-2-4-23-6-11(5-19-23)25(30)31/h5-6,13,16H,2-4,7-8H2,1H3,(H,20,26)(H,28,29)InChIKey
JDMQPFWSLVWFGR-UHFFFAOYSA-NSynonyms
1214231-54-51214231545
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)7((4(4nitro1Hpyrazol1yl)butanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)7(4(4NITROPYRAZOL1YL)BUTANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CCCN4C=C(C=N4)(N+)(=O)(O))SC2)C(=O)O
InChI=1SC18H19N7O6S3c19212218(349)338107321613(15(27)24(16)14(10)17(28)29)2012(26)32423611(51923)25(30)31h561316H2478H21H3(H2026)(H2829)
MFCD04136761
O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCCn1ncc(c1)(N+)(=O)(O)
ZINC000033356812
ZINC000033356818
Check stock
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