Vitas-M small molecule compound
(5E)-1-(3-fluorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187749
SMILES COc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F
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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 C19H13FN2O5S MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13FN2O5S/c1-25-14-8-16-15(26-9-27-16)6-10(14)5-13-17(23)21-19(28)22(18(13)24)12-4-2-3-11(20)7-12/h2-8H,9H2,1H3,(H,21,23,28)/b13-5+InChIKey
KEQVZQBFPWAHPN-WLRTZDKTSA-NSynonyms
(5E)1(3FLUOROPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3FLUOROPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F)OCO2
COc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F
InChI=1SC19H13FN2O5Sc1251481615(2692716)610(14)51317(23)2119(28)22(18(13)24)1242311(20)712h28H9H21H3(H212328)b135+
MFCD03697125
ZINC000004723837
ZINC04723837
ZINC4723837
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