Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK302986
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(c(c1Cl)C)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 C16H17ClN4O6S MW 428.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O6S/c1-6-9(17)10(19-20(6)3)13(23)18-11-14(24)21-12(16(25)26)8(4-27-7(2)22)5-28-15(11)21/h11,15H,4-5H2,1-3H3,(H,18,23)(H,25,26)InChIKey
PZTGCMIGAKBWKF-UHFFFAOYSA-NSynonyms
1214078-38-21214078382
3((acetyloxy)methyl)7(((4chloro15dimethyl1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((4CHLORO15DIMETHYLPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)Cl
InChI=1SC16H17ClN4O6Sc169(17)10(1920(6)3)13(23)181114(24)2112(16(25)26)8(4277(2)22)52815(11)21h1115H45H213H3(H1823)(H2526)
MFCD04048950
ZINC000009201572
ZINC000009201593
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