Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405691
SMILES CCC(n1nc(c(c1C)Cl)C)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)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 C19H23ClN4O6S MW 470.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O6S/c1-5-12(24-9(3)13(20)8(2)22-24)16(26)21-14-17(27)23-15(19(28)29)11(6-30-10(4)25)7-31-18(14)23/h12,14,18H,5-7H2,1-4H3,(H,21,26)(H,28,29)InChIKey
ZHQZTOVPVWKESO-UHFFFAOYSA-NSynonyms
1040407-59-71040407597
3((acetyloxy)methyl)7((2(4chloro35dimethyl1Hpyrazol1yl)butanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(4CHLORO35DIMETHYLPYRAZOL1YL)BUTANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCC(C(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)N3C(=C(C(=N3)C)Cl)C
InChI=1SC19H23ClN4O6Sc1512(249(3)13(20)8(2)2224)16(26)211417(27)2315(19(28)29)11(63010(4)25)73118(14)23h121418H57H214H3(H2126)(H2829)
MFCD05666989
ZINC000009431624
ZINC000022707097
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