Vitas-M small molecule compound
5-(3-bromo-4,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK219500
SMILES COc1c(Br)cc(cc1OC)C=C1C(=O)NC(=S)NC1=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 C13H11BrN2O4S MW 371.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11BrN2O4S/c1-19-9-5-6(4-8(14)10(9)20-2)3-7-11(17)15-13(21)16-12(7)18/h3-5H,1-2H3,(H2,15,16,17,18,21)InChIKey
YSBJNQHPGKTUSK-UHFFFAOYSA-NSynonyms
5((3BROMO45DIMETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3BROMO45DIMETHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OC
InChI=1SC13H11BrN2O4Sc119956(48(14)10(9)202)3711(17)1513(21)1612(7)18h35H12H3(H21516171821)
MFCD01053783
ZINC000004814901
ZINC04814901
ZINC4814901
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