Vitas-M small molecule compound
(5E)-1-(4-bromo-2-methylphenyl)-5-[3-methoxy-2-(propan-2-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192302
SMILES COc1cccc(c1OC(C)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br
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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 C22H21BrN2O4S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O4S/c1-12(2)29-19-14(6-5-7-18(19)28-4)11-16-20(26)24-22(30)25(21(16)27)17-9-8-15(23)10-13(17)3/h5-12H,1-4H3,(H,24,26,30)/b16-11+InChIKey
TZUOVWGHHMDDQR-LFIBNONCSA-NSynonyms
(5E)1(4BROMO2METHYLPHENYL)5((3METHOXY2PROPAN2YLOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4BROMO2METHYLPHENYL)5(3METHOXY2(PROPAN2YLOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=C(C(=CC=C3)OC)OC(C)C)C(=O)NC2=S
COc1cccc(c1OC(C)C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br
InChI=1SC22H21BrN2O4Sc112(2)291914(65718(19)284)111620(26)2422(30)25(21(16)27)179815(23)1013(17)3h512H14H3(H242630)b1611+
MFCD03712600
ZINC000001164167
ZINC01164167
ZINC1164167
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