Vitas-M small molecule compound
(5Z)-1-(4-bromo-2-methylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192222
SMILES COc1cc2OCOc2cc1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1C)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 C20H15BrN2O5S MW 475.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O5S/c1-10-5-12(21)3-4-14(10)23-19(25)13(18(24)22-20(23)29)6-11-7-16-17(28-9-27-16)8-15(11)26-2/h3-8H,9H2,1-2H3,(H,22,24,29)/b13-6-InChIKey
DEAIGZXOYJZMJD-MLPAPPSSSA-NSynonyms
(5Z)1(4BROMO2METHYLPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4BROMO2METHYLPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=O)NC2=S
COc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br
InChI=1SC20H15BrN2O5Sc110512(21)3414(10)2319(25)13(18(24)2220(23)29)61171617(2892716)815(11)262h38H9H212H3(H222429)b136
MFCD03923251
ZINC000012362986
ZINC12362986
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