Vitas-M small molecule compound
(5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK125602
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2)OC)cc(c1O)CC=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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-4-6-15-11-14(13-19(20(15)26)30-5-2)12-18-21(27)24-23(31)25(22(18)28)16-7-9-17(29-3)10-8-16/h4,7-13,26H,1,5-6H2,2-3H3,(H,24,27,31)/b18-12+InChIKey
LKIKENUQHBWYFC-LDADJPATSA-NSynonyms
426222-67-5(5E)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
426222675
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)OC)cc(c1O)CC=C
InChI=1SC23H22N2O5Sc146151114(1319(20(15)26)3052)121821(27)2423(31)25(22(18)28)167917(293)10816h471326H156H223H3(H242731)b1812+
MFCD02604660
ZINC000002726847
ZINC02726847
ZINC2726847
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