Vitas-M small molecule compound
(5E)-1-(4-bromo-2-methylphenyl)-5-[4-(dimethylamino)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197481
SMILES Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C\c2ccc(cc2)N(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 C20H18BrN3O2S MW 444.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O2S/c1-12-10-14(21)6-9-17(12)24-19(26)16(18(25)22-20(24)27)11-13-4-7-15(8-5-13)23(2)3/h4-11H,1-3H3,(H,22,25,27)/b16-11+InChIKey
ZMVWGWXNEQETNF-LFIBNONCSA-NSynonyms
(5E)1(4bromo2methylphenyl)5((4(dimethylamino)phenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(4BROMO2METHYLPHENYL)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4BROMO2METHYLPHENYL)5(4(DIMETHYLAMINO)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
Brc1ccc(c(c1)C)N1C(=S)NC(=O)C(=Cc2ccc(cc2)N(C)C)C1=O
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)C(=O)NC2=S
InChI=1SC20H18BrN3O2Sc1121014(21)6917(12)2419(26)16(18(25)2220(24)27)11134715(8513)23(2)3h411H13H3(H222527)b1611+
MFCD02213122
ZINC000001203400
ZINC01203400
ZINC1203400
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