Vitas-M small molecule compound
(5Z)-5-(2-bromo-4,5-dimethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190196
SMILES COc1cc(Br)c(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
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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/c1-11-5-12(2)7-14(6-11)24-20(26)15(19(25)23-21(24)29)8-13-9-17(27-3)18(28-4)10-16(13)22/h5-10H,1-4H3,(H,23,25,29)/b15-8-InChIKey
XNVVVXOSEUELLY-NVNXTCNLSA-NSynonyms
(5Z)5((2BROMO45DIMETHOXYPHENYL)METHYLIDENE)1(35DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(2BROMO45DIMETHOXYBENZYLIDENE)1(35DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)OC)OC)C(=O)NC2=S)C
COc1cc(Br)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC21H19BrN2O4Sc111512(2)714(611)2420(26)15(19(25)2321(24)29)813917(273)18(284)1016(13)22h510H14H3(H232529)b158
MFCD04585341
ZINC000016269112
ZINC16269112
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