Vitas-M small molecule compound
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187291
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2scc(c2)Br)/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 C12H9BrN2O2S2 MW 357.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2O2S2/c1-2-3-15-11(17)9(10(16)14-12(15)18)5-8-4-7(13)6-19-8/h2,4-6H,1,3H2,(H,14,16,18)/b9-5+InChIKey
ARWQAVMIJZRRQL-WEVVVXLNSA-NSynonyms
(5E)5((4BROMOTHIOPHEN2YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((4BROMOTHIOPHEN2YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=O)C(=CC2=CC(=CS2)Br)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2scc(c2)Br)C1=O
InChI=1SC12H9BrN2O2S2c1231511(17)9(10(16)1412(15)18)5847(13)6198h246H13H2(H141618)b95+
MFCD03272904
ZINC000004723759
ZINC04723759
ZINC4723759
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