Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL403191
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCn1nc(c(c1C)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 C18H21BrN4O6S MW 501.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN4O6S/c1-8-13(19)9(2)22(21-8)5-4-12(25)20-14-16(26)23-15(18(27)28)11(6-29-10(3)24)7-30-17(14)23/h14,17H,4-7H2,1-3H3,(H,20,25)(H,27,28)InChIKey
NULOWGRDEKDCKT-UHFFFAOYSA-NSynonyms
1214129-84-61214129846
3((acetyloxy)methyl)7((3(4bromo35dimethyl1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(3(4BROMO35DIMETHYLPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CCC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C)Br
InChI=1SC18H21BrN4O6Sc1813(19)9(2)22(218)5412(25)201416(26)2315(18(27)28)11(62910(3)24)73017(14)23h1417H47H213H3(H2025)(H2728)
MFCD04050162
ZINC000013640395
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