Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK310090
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1c(C)nn(c1C)c1ccccc1
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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 C22H22N4O6S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6S/c1-11-16(12(2)26(24-11)15-7-5-4-6-8-15)19(28)23-17-20(29)25-18(22(30)31)14(9-32-13(3)27)10-33-21(17)25/h4-8,17,21H,9-10H2,1-3H3,(H,23,28)(H,30,31)InChIKey
QMBKXIAIQDNNQO-UHFFFAOYSA-NSynonyms
1214004-43-91214004439
3((acetyloxy)methyl)7(((35dimethyl1phenyl1Hpyrazol4yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((35DIMETHYL1PHENYLPYRAZOLE4CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O
InChI=1SC22H22N4O6Sc11116(12(2)26(2411)157546815)19(28)231720(29)2518(22(30)31)14(93213(3)27)103321(17)25h481721H910H213H3(H2328)(H3031)
MFCD04050164
ZINC000013640255
ZINC000013640261
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