Vitas-M small molecule compound
(5E)-5-{3-chloro-4-[(3-fluorobenzyl)oxy]-5-methoxybenzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK044203
SMILES COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)C)cc(c1OCc1cccc(c1)F)Cl
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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 C20H16ClFN2O4S MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN2O4S/c1-24-19(26)14(18(25)23-20(24)29)7-12-8-15(21)17(16(9-12)27-2)28-10-11-4-3-5-13(22)6-11/h3-9H,10H2,1-2H3,(H,23,25,29)/b14-7+InChIKey
KKTUOZPCFGNQEV-VGOFMYFVSA-NSynonyms
(5E)5((3chloro4((3fluorophenyl)methoxy)5methoxyphenyl)methylidene)1methyl2sulfanylidene13diazinane46dione
(5E)5(3CHLORO4((3FLUOROBENZYL)OXY)5METHOXYBENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC(=CC=C3)F)OC)C(=O)NC1=S
COc1cc(C=C2C(=O)NC(=S)N(C2=O)C)cc(c1OCc1cccc(c1)F)Cl
InChI=1SC20H16ClFN2O4Sc12419(26)14(18(25)2320(24)29)712815(21)17(16(912)272)28101143513(22)611h39H10H212H3(H232529)b147+
MFCD04506280
STK044203
ZINC000009311647
ZINC09311647
ZINC9311647
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