Vitas-M small molecule compound
(5E)-1-(2,5-dimethylphenyl)-5-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190253
SMILES COc1ccc(cc1)/C=C/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
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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 C22H20N2O3S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S/c1-14-7-8-15(2)19(13-14)24-21(26)18(20(25)23-22(24)28)6-4-5-16-9-11-17(27-3)12-10-16/h4-13H,1-3H3,(H,23,25,28)/b5-4+,18-6+InChIKey
AAZFSCGLBUZKAE-AHEGLGOKSA-NSynonyms
(5E)1(25DIMETHYLPHENYL)5((2E)3(4METHOXYPHENYL)PROP2EN1YLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(25DIMETHYLPHENYL)5((E)3(4METHOXYPHENYL)PROP2ENYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC=CC3=CC=C(C=C3)OC)C(=O)NC2=S
COc1ccc(cc1)C=CC=C1C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
InChI=1SC22H20N2O3Sc1147815(2)19(1314)2421(26)18(20(25)2322(24)28)6451691117(273)121016h413H13H3(H232528)b54+186+
MFCD07115371
ZINC000004724073
ZINC04724073
ZINC4724073
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