Vitas-M small molecule compound
methyl 4-(3,4-dimethylphenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
Catalog ID
STK452490
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c1c1ccc(c(c1)C)C)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 C22H19N3O7S MW 469.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O7S/c1-11-5-6-14(9-12(11)2)18-13(3)33-21(19(18)22(27)32-4)23-20(26)16-8-7-15(24(28)29)10-17(16)25(30)31/h5-10H,1-4H3,(H,23,26)InChIKey
BPZLCFQVGMFQOE-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C)C
COC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc(c1c1ccc(c(c1)C)C)C
InChI=1SC22H19N3O7Sc1115614(912(11)2)1813(3)3321(19(18)22(27)324)2320(26)168715(24(28)29)1017(16)25(30)31h510H14H3(H2326)
METHYL2((24DINITROBENZOYL)AMINO)4(34DIMETHYLPHENYL)5METHYL3THIOPHENECARBOXYLATE
methyl4(34dimethylphenyl)2(((24dinitrophenyl)carbonyl)amino)5methylthiophene3carboxylate
METHYL4(34DIMETHYLPHENYL)2((24DINITROBENZOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
METHYL4(34DIMETHYLPHENYL)2((24DINITROPHENYL)CARBONYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD02372666
ZINC000002101516
ZINC02101516
ZINC2101516
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.