Vitas-M small molecule compound
(5E)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188051
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2ccccc2F)/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/c1-3-10-25-21(27)16(20(26)24-22(25)30)11-14-8-9-18(19(12-14)28-2)29-13-15-6-4-5-7-17(15)23/h3-9,11-12H,1,10,13H2,2H3,(H,24,26,30)/b16-11+InChIKey
VILFHDVOHXLMJY-LFIBNONCSA-NSynonyms
(5E)5((4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4((2FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccccc2F)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=CC=C3F
InChI=1SC22H19FN2O4Sc13102521(27)16(20(26)2422(25)30)11148918(19(1214)282)291315645717(15)23h391112H11013H22H3(H242630)b1611+
MFCD06615206
ZINC000002909244
ZINC02909244
ZINC2909244
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