Vitas-M small molecule compound
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187339
SMILES CCOc1cc2OCOc2cc1/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 C20H15FN2O5S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O5S/c1-2-26-15-9-17-16(27-10-28-17)7-11(15)6-14-18(24)22-20(29)23(19(14)25)13-5-3-4-12(21)8-13/h3-9H,2,10H2,1H3,(H,22,24,29)/b14-6+InChIKey
OUTKOYRAPBJKDY-MKMNVTDBSA-NSynonyms
(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F)OCO2
CCOc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F
InChI=1SC20H15FN2O5Sc12261591716(27102817)711(15)61418(24)2220(29)23(19(14)25)1353412(21)813h39H210H21H3(H222429)b146+
MFCD06666019
ZINC000004723775
ZINC04723775
ZINC4723775
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