Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK302564
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(cc1[N+](=O)[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 C15H15N5O8S MW 425.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N5O8S/c1-6(21)28-4-7-5-29-14-10(13(23)19(14)11(7)15(24)25)16-12(22)9-8(20(26)27)3-18(2)17-9/h3,10,14H,4-5H2,1-2H3,(H,16,22)(H,24,25)InChIKey
ZDWFTVRPWIBGJK-UHFFFAOYSA-NSynonyms
1214140-09-61214140096
3((acetyloxy)methyl)7(((1methyl4nitro1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((1METHYL4NITROPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(cc1(N+)(=O)(O))C
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3(N+)(=O)(O))C)SC1)C(=O)O
InChI=1SC15H15N5O8Sc16(21)28475291410(13(23)19(14)11(7)15(24)25)1612(22)98(20(26)27)318(2)179h31014H45H212H3(H1622)(H2425)
MFCD04048120
ZINC000013958065
ZINC000013958071
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