Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-[4-hydroxy-3-(prop-2-en-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196852
SMILES C=CCc1cc(ccc1O)/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 C20H15BrN2O3S MW 443.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O3S/c1-2-3-13-10-12(4-9-17(13)24)11-16-18(25)22-20(27)23(19(16)26)15-7-5-14(21)6-8-15/h2,4-11,24H,1,3H2,(H,22,25,27)/b16-11-InChIKey
NSFZBVJQXXHNQI-WJDWOHSUSA-NSynonyms
(5Z)1(4bromophenyl)5((4hydroxy3prop2enylphenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(4BROMOPHENYL)5(4HYDROXY3(PROP2EN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)O
C=CCc1cc(ccc1O)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br
InChI=1SC20H15BrN2O3Sc123131012(4917(13)24)111618(25)2220(27)23(19(16)26)157514(21)6815h241124H13H2(H222527)b1611
MFCD03228201
ZINC000009934444
ZINC09934444
ZINC9934444
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