Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368182
SMILES Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2C)C)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 C25H22BrN3O2S MW 508.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O2S/c1-14-6-5-7-22(16(14)3)28-15(2)12-18(17(28)4)13-21-23(30)27-25(32)29(24(21)31)20-10-8-19(26)9-11-20/h5-13H,1-4H3,(H,27,30,32)/b21-13+InChIKey
RSIHOHVOKIKEIK-FYJGNVAPSA-NSynonyms
(5E)1(4bromophenyl)5((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(4BROMOPHENYL)5((1(23DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2C)C)C)C1=O
CC1=C(C(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br)C)C
InChI=1SC25H22BrN3O2Sc11465722(16(14)3)2815(2)1218(17(28)4)132123(30)2725(32)29(24(21)31)2010819(26)91120h513H14H3(H273032)b2113+
MFCD02783196
ZINC000020418002
ZINC20418002
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