Vitas-M small molecule compound

4-({[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxylic acid

Catalog ID
STL394628
SMILES FC(Oc1cccc2c1c(Cl)c(s2)C(=O)Nc1cnn(c1C(=O)O)C)F

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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 C15H10ClF2N3O4S MW 401.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClF2N3O4S/c1-21-11(14(23)24)6(5-19-21)20-13(22)12-10(16)9-7(25-15(17)18)3-2-4-8(9)26-12/h2-5,15H,1H3,(H,20,22)(H,23,24)
InChIKey
XMUHXUBMIJKCGQ-UHFFFAOYSA-N
Synonyms
1005589-76-3
1005589763
4(((3CHLORO4(DIFLUOROMETHOXY)1BENZOTHIOPHEN2YL)CARBONYL)AMINO)1METHYL1HPYRAZOLE5CARBOXYLICACID
4((3CHLORO4(DIFLUOROMETHOXY)1BENZOTHIOPHENE2CARBONYL)AMINO)2METHYLPYRAZOLE3CARBOXYLICACID
CN1C(=C(C=N1)NC(=O)C2=C(C3=C(C=CC=C3S2)OC(F)F)Cl)C(=O)O
InChI=1SC15H10ClF2N3O4Sc12111(14(23)24)6(51921)2013(22)1210(16)97(2515(17)18)3248(9)2612h2515H1H3(H2022)(H2324)
MFCD04056687
ZINC000002793521
ZINC2793521

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Available files

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