Vitas-M small molecule compound
(5E)-1-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190033
SMILES COc1cc(C)c(cc1C(C)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C22H21FN2O3S MW 412.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O3S/c1-12(2)17-10-14(13(3)9-19(17)28-4)11-18-20(26)24-22(29)25(21(18)27)16-7-5-15(23)6-8-16/h5-12H,1-4H3,(H,24,26,29)/b18-11+InChIKey
KHSJRJNOAQEFAP-WOJGMQOQSA-NSynonyms
(5E)1(4FLUOROPHENYL)5((4METHOXY2METHYL5PROPAN2YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4FLUOROPHENYL)5(4METHOXY2METHYL5(PROPAN2YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
1(4FLUOROPHENYL)5((4METHOXY2METHYL5(METHYLETHYL)PHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)C(C)C)OC
COc1cc(C)c(cc1C(C)C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
InChI=1SC22H21FN2O3Sc112(2)171014(13(3)919(17)284)111820(26)2422(29)25(21(18)27)167515(23)6816h512H14H3(H242629)b1811+
MFCD03226977
ZINC000001053432
ZINC01053432
ZINC1053432
Check stock
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