Vitas-M small molecule compound

(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL147574
SMILES COc1ccccc1N1C(=NC(=O)/C(=C\Nc2c(C)n(n(c2=O)c2ccccc2)C)/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 C23H21N5O4S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4S/c1-14-19(22(31)28(26(14)2)15-9-5-4-6-10-15)24-13-16-20(29)25-23(33)27(21(16)30)17-11-7-8-12-18(17)32-3/h4-13,24H,1-3H3,(H,25,29,33)/b16-13+
InChIKey
HOMXDMNWLZJXOW-DTQAZKPQSA-N
Synonyms

COc1ccccc1N1C(=NC(=O)C(=CNc2c(C)n(n(c2=O)c2ccccc2)C)C1=O)S
MFCD03813743
ZINC000100799774

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Available files

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