Vitas-M small molecule compound

(5E)-5-{[1-(biphenyl-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one

Catalog ID
STK623295
SMILES SC1=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)c2ccccc2)C)/C(=N1)O

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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 C23H19N3O2S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O2S/c1-14-12-18(13-20-21(27)24-23(29)25-22(20)28)15(2)26(14)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,24,25,27,28,29)
InChIKey
UJRIACJEVGXROO-UHFFFAOYSA-N
Synonyms

(5E)5((1(biphenyl4yl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((25DIMETHYL1(4PHENYLPHENYL)PYRROL3YL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((25DIMETHYL1(4PHENYLPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C=C4C(=O)NC(=S)NC4=O
InChI=1SC23H19N3O2Sc1141218(132021(27)2423(29)2522(20)28)15(2)26(14)1910817(91119)166435716h313H12H3(H22425272829)
MFCD09798027
SC1=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)c2ccccc2)C)C(=N1)O
ZINC000002306459
ZINC2306459

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Available files

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