Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-(3,4-diethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195939
SMILES CCOc1cc(ccc1OCC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C21H19BrN2O4S MW 475.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4S/c1-3-27-17-10-5-13(12-18(17)28-4-2)11-16-19(25)23-21(29)24(20(16)26)15-8-6-14(22)7-9-15/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b16-11-InChIKey
KQLDTTUIDNGALF-WJDWOHSUSA-NSynonyms
(5Z)1(4bromophenyl)5((34diethoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(4BROMOPHENYL)5(34DIETHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OCC
CCOc1cc(ccc1OCC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br
InChI=1SC21H19BrN2O4Sc13271710513(1218(17)2842)111619(25)2321(29)24(20(16)26)158614(22)7915h512H34H212H3(H232529)b1611
MFCD06253141
ZINC000009323939
ZINC09323939
ZINC9323939
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