Vitas-M small molecule compound

7-{[2-(4-bromo-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
STL405685
SMILES O=C(C(n1ncc(c1)Br)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 C17H17BrN6O4S3 MW 545.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN6O4S3/c1-7(23-4-10(18)3-19-23)13(25)20-11-14(26)24-12(16(27)28)9(5-29-15(11)24)6-30-17-22-21-8(2)31-17/h3-4,7,11,15H,5-6H2,1-2H3,(H,20,25)(H,27,28)
InChIKey
KFVBXQPEIFIBTM-UHFFFAOYSA-N
Synonyms
1214128-86-5
1214128865
7((2(4bromo1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(4BROMOPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C)N4C=C(C=N4)Br)SC2)C(=O)O
InChI=1SC17H17BrN6O4S3c17(23410(18)31923)13(25)201114(26)2412(16(27)28)9(52915(11)24)6301722218(2)3117h3471115H56H212H3(H2025)(H2728)
MFCD05667388
ZINC000097947896
ZINC000169682050

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Available files

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