Vitas-M small molecule compound
(5Z)-5-(3-bromo-4,5-dimethoxybenzylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190245
SMILES COc1c(Br)cc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)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 C22H21BrN2O4S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O4S/c1-12(2)14-5-7-15(8-6-14)25-21(27)16(20(26)24-22(25)30)9-13-10-17(23)19(29-4)18(11-13)28-3/h5-12H,1-4H3,(H,24,26,30)/b16-9-InChIKey
HPPREJPOTPWSHK-SXGWCWSVSA-NSynonyms
(5Z)5((3bromo45dimethoxyphenyl)methylidene)1(4propan2ylphenyl)2sulfanylidene13diazinane46dione
(5Z)5(3BROMO45DIMETHOXYBENZYLIDENE)1(4(PROPAN2YL)PHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OC)OC)C(=O)NC2=S
COc1c(Br)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C
InChI=1SC22H21BrN2O4Sc112(2)145715(8614)2521(27)16(20(26)2422(25)30)9131017(23)19(294)18(1113)283h512H14H3(H242630)b169
MFCD06615224
ZINC000009323521
ZINC09323521
ZINC9323521
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