Vitas-M small molecule compound
7-{[(4-bromo-3-methyl-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
STL405681
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)Cn1nc(c(c1)Br)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 C16H17BrN8O4S2 MW 529.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN8O4S2/c1-7-9(17)3-24(20-7)4-10(26)18-11-13(27)25-12(15(28)29)8(5-30-14(11)25)6-31-16-19-21-22-23(16)2/h3,11,14H,4-6H2,1-2H3,(H,18,26)(H,28,29)InChIKey
ACNRMUJBGJXYSR-UHFFFAOYSA-NSynonyms
1214100-19-21214100192
7(((4bromo3methyl1Hpyrazol1yl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(((4BROMO3METHYL1HPYRAZOL1YL)ACETYL)AMINO)3(((1METHYL1HTETRAZOL5YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(4BROMO3METHYLPYRAZOL1YL)ACETYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1Br)CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O
InChI=1SC16H17BrN8O4S2c179(17)324(207)410(26)181113(27)2512(15(28)29)8(53014(11)25)6311619212223(16)2h31114H46H212H3(H1826)(H2829)
MFCD05667377
ZINC000002732917
ZINC000002732920
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