Vitas-M small molecule compound
(5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL054075
SMILES CCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S
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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 C23H22FN3O2S MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O2S/c1-2-3-11-26-12-10-16-13-15(8-9-19(16)26)14-17-21(28)25-23(30)27(22(17)29)20-7-5-4-6-18(20)24/h4-9,13-14H,2-3,10-12H2,1H3,(H,25,28,30)/b17-14+InChIKey
VBLWDHJOGDCMRC-SAPNQHFASA-NSynonyms
714926-79-1(5E)5((1butyl23dihydro1Hindol5yl)methylidene)1(2fluorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BUTYL23DIHYDROINDOL5YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
714926791
CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
CCCCN1CCc2c1ccc(c2)C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S
InChI=1SC23H22FN3O2Sc12311261210161315(8919(16)26)141721(28)2523(30)27(22(17)29)20754618(20)24h491314H231012H21H3(H252830)b1714+
MFCD05734233
ZINC000009464046
ZINC9464046
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