Vitas-M small molecule compound
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
Catalog ID
STL414456
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1ccc(s1)C(=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 C11H11N3O4S MW 281.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O4S/c1-6-10(14(17)18)7(2)13(12-6)5-8-3-4-9(19-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)InChIKey
BQPIIPUXSIBCOA-UHFFFAOYSA-NSynonyms
1006955-28-7(O)(N+)(=O)c1c(C)nn(c1C)Cc1ccc(s1)C(=O)O
1006955287
5((35dimethyl4nitro1Hpyrazol1yl)methyl)thiophene2carboxylicacid
5((35dimethyl4nitropyrazol1yl)methyl)thiophene2carboxylicacid
5((35DIMETHYL4NITROPYRAZOLYL)METHYL)THIOPHENE2CARBOXYLICACID
CC1=C(C(=NN1CC2=CC=C(S2)C(=O)O)C)(N+)(=O)(O)
InChI=1SC11H11N3O4Sc1610(14(17)18)7(2)13(126)58349(198)11(15)16h34H5H212H3(H1516)
MFCD06804696
ZINC000020312330
ZINC20312330
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