Vitas-M small molecule compound

7-{[3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]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
STL405658
SMILES COc1nn(cc1[N+](=O)[O-])CCC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C18H19N7O7S3 MW 541.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O7S3/c1-8-20-21-18(35-8)34-7-9-6-33-16-12(15(27)24(16)13(9)17(28)29)19-11(26)3-4-23-5-10(25(30)31)14(22-23)32-2/h5,12,16H,3-4,6-7H2,1-2H3,(H,19,26)(H,28,29)
InChIKey
KIRGIRMPUUOEBZ-UHFFFAOYSA-N
Synonyms
1214800-86-8
1214800868
7((3(3methoxy4nitro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(3(3METHOXY4NITROPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CCN4C=C(C(=N4)OC)(N+)(=O)(O))SC2)C(=O)O
COc1nn(cc1(N+)(=O)(O))CCC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C
InChI=1SC18H19N7O7S3c18202118(358)34796331612(15(27)24(16)13(9)17(28)29)1911(26)3423510(25(30)31)14(2223)322h51216H3467H212H3(H1926)(H2829)
MFCD04138232
ZINC000097946079
ZINC000097946086

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Available files

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