Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-2-{[(4-fluoro-2-nitrophenyl)carbamothioyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK455180
SMILES COC(=O)c1c(NC(=S)Nc2ccc(cc2[N+](=O)[O-])F)sc(c1C)C(=O)N(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 C17H17FN4O5S2 MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN4O5S2/c1-8-12(16(24)27-4)14(29-13(8)15(23)21(2)3)20-17(28)19-10-6-5-9(18)7-11(10)22(25)26/h5-7H,1-4H3,(H2,19,20,28)InChIKey
GKOCHEISAWDNRU-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)F)(N+)(=O)(O))C(=O)N(C)C
COC(=O)c1c(NC(=S)Nc2ccc(cc2(N+)(=O)(O))F)sc(c1C)C(=O)N(C)C
InChI=1SC17H17FN4O5S2c1812(16(24)274)14(2913(8)15(23)21(2)3)2017(28)1910659(18)711(10)22(25)26h57H14H3(H2192028)
methyl5(dimethylcarbamoyl)2(((4fluoro2nitrophenyl)carbamothioyl)amino)4methylthiophene3carboxylate
METHYL5(DIMETHYLCARBAMOYL)2((4FLUORO2NITROPHENYL)CARBAMOTHIOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIMETHYLCARBAMOYL)2((((4FLUORO2NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04227376
ZINC000016361031
ZINC16361031
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