Vitas-M small molecule compound
(5Z)-1-(2-fluorophenyl)-5-{[1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192390
SMILES COc1ccc(c(c1)[N+](=O)[O-])n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)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 C24H19FN4O5S MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19FN4O5S/c1-13-10-15(14(2)27(13)20-9-8-16(34-3)12-21(20)29(32)33)11-17-22(30)26-24(35)28(23(17)31)19-7-5-4-6-18(19)25/h4-12H,1-3H3,(H,26,30,35)/b17-11-InChIKey
AWYVXAUXMDPDFU-BOPFTXTBSA-NSynonyms
(5Z)1(2FLUOROPHENYL)5((1(4METHOXY2NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(2FLUOROPHENYL)5((1(4METHOXY2NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=C(C=C2)OC)(N+)(=O)(O))C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
COc1ccc(c(c1)(N+)(=O)(O))n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC24H19FN4O5Sc1131015(14(2)27(13)209816(343)1221(20)29(32)33)111722(30)2624(35)28(23(17)31)19754618(19)25h412H13H3(H263035)b1711
MFCD04357884
ZINC000001137552
ZINC01137552
ZINC1137552
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.