Vitas-M small molecule compound
(5E)-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK054558
SMILES COc1cc(ccc1OCc1ccc(cc1)F)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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 C20H17FN2O4S MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN2O4S/c1-23-19(25)15(18(24)22-20(23)28)9-13-5-8-16(17(10-13)26-2)27-11-12-3-6-14(21)7-4-12/h3-10H,11H2,1-2H3,(H,22,24,28)/b15-9+InChIKey
CCVWYJVJYSACQP-OQLLNIDSSA-NSynonyms
(5E)5((4((4fluorophenyl)methoxy)3methoxyphenyl)methylidene)1methyl2sulfanylidene13diazinane46dione
(5E)5(4((4FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC)C(=O)NC1=S
COc1cc(ccc1OCc1ccc(cc1)F)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC20H17FN2O4Sc12319(25)15(18(24)2220(23)28)9135816(17(1013)262)2711123614(21)7412h310H11H212H3(H222428)b159+
MFCD03228469
STK054558
ZINC000005879168
ZINC05879168
ZINC5879168
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