Vitas-M small molecule compound

5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187990
SMILES CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)OCc2ccccc2F)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 C26H24FN3O3S MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O3S/c1-16-13-19(14-22-24(31)28(3)26(34)29(4)25(22)32)17(2)30(16)20-9-11-21(12-10-20)33-15-18-7-5-6-8-23(18)27/h5-14H,15H2,1-4H3
InChIKey
XYLILEPCVLFCIO-UHFFFAOYSA-N
Synonyms

5((1(4((2FLUOROBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4((2fluorophenyl)methoxy)phenyl)25dimethylpyrrol3yl)methylidene)13dimethyl2sulfanylidene13diazinane46dione
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C)C=C4C(=O)N(C(=S)N(C4=O)C)C
InChI=1SC26H24FN3O3Sc1161319(142224(31)28(3)26(34)29(4)25(22)32)17(2)30(16)2091121(121020)331518756823(18)27h514H15H214H3
MFCD02779757
ZINC000009311490
ZINC09311490
ZINC9311490

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Available files

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