Vitas-M small molecule compound

3-[(acetyloxy)methyl]-7-{[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK384934
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1cc(c(n1)C)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 C17H19BrN4O6S MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O6S/c1-7-11(18)4-21(20-7)8(2)14(24)19-12-15(25)22-13(17(26)27)10(5-28-9(3)23)6-29-16(12)22/h4,8,12,16H,5-6H2,1-3H3,(H,19,24)(H,26,27)
InChIKey
JAZFJYBKBDRDDW-UHFFFAOYSA-N
Synonyms
1214063-53-2
1214063532
3((acetyloxy)methyl)7((2(4bromo3methyl1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(4BROMO3METHYLPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1Br)C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC17H19BrN4O6Sc1711(18)421(207)8(2)14(24)191215(25)2213(17(26)27)10(5289(3)23)62916(12)22h481216H56H213H3(H1924)(H2627)
MFCD04046445
ZINC000008715727
ZINC000013640284

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Available files

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