Vitas-M small molecule compound

(5E)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK188050
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2cccc(c2)F)/C1=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 C22H19FN2O4S MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O4S/c1-3-9-25-21(27)17(20(26)24-22(25)30)11-14-7-8-18(19(12-14)28-2)29-13-15-5-4-6-16(23)10-15/h3-8,10-12H,1,9,13H2,2H3,(H,24,26,30)/b17-11+
InChIKey
KEXWRYWLHSEUFD-GZTJUZNOSA-N
Synonyms

(5E)5((4((3FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4((3FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2cccc(c2)F)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC(=CC=C3)F
InChI=1SC22H19FN2O4Sc1392521(27)17(20(26)2422(25)30)11147818(19(1214)282)29131554616(23)1015h381012H1913H22H3(H242630)b1711+
MFCD03707324
ZINC000002996536
ZINC02996536
ZINC2996536

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Available files

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