Vitas-M small molecule compound
(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-bromophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK012007
SMILES Brc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O
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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 C24H18BrN3O4S MW 524.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrN3O4S/c1-13-8-15(14(2)27(13)18-6-7-20-21(11-18)32-12-31-20)9-19-22(29)26-24(33)28(23(19)30)17-5-3-4-16(25)10-17/h3-11H,12H2,1-2H3,(H,26,29,33)/b19-9-InChIKey
ORFLCKBQYNPZCU-OCKHKDLRSA-NSynonyms
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(3BROMOPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3BROMOPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC(=CC=C5)Br
InChI=1SC24H18BrN3O4Sc113815(14(2)27(13)18672021(1118)32123120)91922(29)2624(33)28(23(19)30)1753416(25)1017h311H12H212H3(H262933)b199
MFCD03228195
STK012007
ZINC000097957884
ZINC97957884
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