Vitas-M small molecule compound
(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189927
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)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 C16H16BrN3O2S MW 394.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN3O2S/c1-4-7-20-15(22)11(14(21)18-16(20)23)8-10-5-6-13(19(2)3)12(17)9-10/h4-6,8-9H,1,7H2,2-3H3,(H,18,21,23)/b11-8+InChIKey
CKUMOTRKQILGQL-DHZHZOJOSA-NSynonyms
(5E)5((3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3BROMO4(DIMETHYLAMINO)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)Br)N(C)C)C1=O
CN(C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Br
InChI=1SC16H16BrN3O2Sc1472015(22)11(14(21)1816(20)23)8105613(19(2)3)12(17)910h4689H17H223H3(H182123)b118+
MFCD02194132
ZINC000001202768
ZINC01202768
ZINC1202768
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