Vitas-M small molecule compound
(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK631285
SMILES O=C1N=C(S)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1ccccc1F
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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 C24H18FN3O4S MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O4S/c1-13-9-15(14(2)27(13)16-7-8-20-21(11-16)32-12-31-20)10-17-22(29)26-24(33)28(23(17)30)19-6-4-3-5-18(19)25/h3-11H,12H2,1-2H3,(H,26,29,33)/b17-10-InChIKey
FIXFIOUEUGFGEF-YVLHZVERSA-NSynonyms
347387-74-0(5Z)5((1(13benzodioxol5yl)25dimethyl1Hpyrrol3yl)methylidene)1(2fluorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
347387740
5((1(2HBENZO(34D)13DIOXOLEN5YL)25DIMETHYLPYRROL3YL)METHYLENE)1(2FLUOROPHENYL)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5F
InChI=1SC24H18FN3O4Sc113915(14(2)27(13)16782021(1116)32123120)101722(29)2624(33)28(23(17)30)19643518(19)25h311H12H212H3(H262933)b1710
MFCD09790419
O=C1N=C(S)N(C(=O)C1=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1ccccc1F
ZINC000000631963
ZINC00631963
ZINC13551913
ZINC631963
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.