Vitas-M small molecule compound

(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL055739
SMILES Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2ccc(cc2)Cl)/C1=O)S

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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 C21H13ClFN3O2S MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClFN3O2S/c22-13-3-7-15(8-4-13)25-11-1-2-17(25)12-18-19(27)24-21(29)26(20(18)28)16-9-5-14(23)6-10-16/h1-12H,(H,24,27,29)/b18-12-
InChIKey
AITYLPUKXUFSDL-PDGQHHTCSA-N
Synonyms
578701-82-3
578701823
Fc1ccc(cc1)N1C(=NC(=O)C(=Cc2cccn2c2ccc(cc2)Cl)C1=O)S
MFCD05738269
ZINC000002387493

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.