Vitas-M small molecule compound
(5E)-1-(3-fluorophenyl)-5-{[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187730
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F)[N+](=O)[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 C24H19FN4O5S MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19FN4O5S/c1-13-9-15(14(2)27(13)20-12-18(29(32)33)7-8-21(20)34-3)10-19-22(30)26-24(35)28(23(19)31)17-6-4-5-16(25)11-17/h4-12H,1-3H3,(H,26,30,35)/b19-10+InChIKey
RWWKLMYFWHBCRS-VXLYETTFSA-NSynonyms
(5E)1(3FLUOROPHENYL)5((1(2METHOXY5NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3FLUOROPHENYL)5((1(2METHOXY5NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=CC(=C2)(N+)(=O)(O))OC)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F)(N+)(=O)(O)
InChI=1SC24H19FN4O5Sc113915(14(2)27(13)201218(29(32)33)7821(20)343)101922(30)2624(35)28(23(19)31)1764516(25)1117h412H13H3(H263035)b1910+
MFCD03712540
ZINC000001164073
ZINC1164073
Check stock
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Check stock on Vitas-MAvailable files
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