Vitas-M small molecule compound

(5Z)-5-[4-(diethylamino)-2-hydroxybenzylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL044422
SMILES CCN(c1ccc(c(c1)O)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)CC

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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 C21H20FN3O3S MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O3S/c1-3-24(4-2)16-8-5-13(18(26)12-16)11-17-19(27)23-21(29)25(20(17)28)15-9-6-14(22)7-10-15/h5-12,26H,3-4H2,1-2H3,(H,23,27,29)/b17-11-
InChIKey
HVTYHINGSHOUQG-BOPFTXTBSA-N
Synonyms
336170-80-0
(5Z)5((4(DIETHYLAMINO)2HYDROXYPHENYL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4(diethylamino)2hydroxybenzylidene)1(4fluorophenyl)2sulfanylpyrimidine46(1H5H)dione
336170800
CCN(c1ccc(c(c1)O)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)CC
CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)O
InChI=1SC21H20FN3O3Sc1324(42)168513(18(26)1216)111719(27)2321(29)25(20(17)28)159614(22)71015h51226H34H212H3(H232729)b1711
MFCD03812497
ZINC000017160793
ZINC17160793

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Available files

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