Vitas-M small molecule compound
7-{[2-methyl-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
STL405653
SMILES O=C(C(Cn1nc(cc1C)[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 C19H21N7O6S3 MW 539.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O6S3/c1-8(5-24-9(2)4-12(23-24)26(31)32)15(27)20-13-16(28)25-14(18(29)30)11(6-33-17(13)25)7-34-19-22-21-10(3)35-19/h4,8,13,17H,5-7H2,1-3H3,(H,20,27)(H,29,30)InChIKey
NVELSXNLMYTSRG-UHFFFAOYSA-NSynonyms
1214226-41-11214226411
7((2methyl3(5methyl3nitro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2METHYL3(5METHYL3NITROPYRAZOL1YL)PROPANOYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=NN1CC(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)(N+)(=O)(O)
InChI=1SC19H21N7O6S3c18(5249(2)412(2324)26(31)32)15(27)201316(28)2514(18(29)30)11(63317(13)25)73419222110(3)3519h481317H57H213H3(H2027)(H2930)
MFCD04137882
O=C(C(Cn1nc(cc1C)(N+)(=O)(O))C)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C
ZINC000033356822
ZINC000097945949
Check stock
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Check stock on Vitas-MAvailable files
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