Vitas-M small molecule compound
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187477
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc3c(c2)OCCO3)/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 C19H13FN2O4S MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13FN2O4S/c20-12-2-4-13(5-3-12)22-18(24)14(17(23)21-19(22)27)9-11-1-6-15-16(10-11)26-8-7-25-15/h1-6,9-10H,7-8H2,(H,21,23,27)/b14-9+InChIKey
HHLLOWQVGBNJEL-NTEUORMPSA-NSynonyms
(5E)5(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1COC2=C(O1)C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc3c(c2)OCCO3)C1=O
InChI=1SC19H13FN2O4Sc20122413(5312)2218(24)14(17(23)2119(22)27)911161516(1011)26872515h16910H78H2(H212327)b149+
MFCD06666044
ZINC000000658381
ZINC00658381
ZINC658381
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