Vitas-M small molecule compound

(5E)-1-(2,4-dimethoxyphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK195531
SMILES COc1ccc(c(c1)OC)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)F)C)/C1=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 C25H22FN3O4S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4S/c1-14-11-16(15(2)28(14)18-7-5-17(26)6-8-18)12-20-23(30)27-25(34)29(24(20)31)21-10-9-19(32-3)13-22(21)33-4/h5-13H,1-4H3,(H,27,30,34)/b20-12+
InChIKey
BITPBCKFSYWSTA-UDWIEESQSA-N
Synonyms

(5E)1(24DIMETHOXYPHENYL)5((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(24DIMETHOXYPHENYL)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
1(24DIMETHOXYPHENYL)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O
InChI=1SC25H22FN3O4Sc1141116(15(2)28(14)187517(26)6818)122023(30)2725(34)29(24(20)31)2110919(323)1322(21)334h513H14H3(H273034)b2012+
MFCD03923244
ZINC000002829038
ZINC02829038
ZINC2829038

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Available files

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