Vitas-M small molecule compound
7-{[(5-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK308703
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1ncc(c1C)[N+](=O)[O-]
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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 C17H17N7O6S3 MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O6S3/c1-7-10(24(29)30)3-18-22(7)4-11(25)19-12-14(26)23-13(16(27)28)9(5-31-15(12)23)6-32-17-21-20-8(2)33-17/h3,12,15H,4-6H2,1-2H3,(H,19,25)(H,27,28)InChIKey
BCIKSIUBZABQLD-UHFFFAOYSA-NSynonyms
1214180-50-31214180503
7(((5methyl4nitro1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(5METHYL4NITROPYRAZOL1YL)ACETYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)(N+)(=O)(O)
Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1ncc(c1C)(N+)(=O)(O)
InChI=1SC17H17N7O6S3c1710(24(29)30)31822(7)411(25)191214(26)2313(16(27)28)9(53115(12)23)6321721208(2)3317h31215H46H212H3(H1925)(H2728)
MFCD04132554
ZINC000013959938
ZINC000013959941
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