Vitas-M small molecule compound
(5Z)-1-(4-methoxyphenyl)-5-[4-(naphthalen-2-ylmethoxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192976
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)OCc2ccc3c(c2)cccc3)/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 C29H22N2O4S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O4S/c1-34-24-14-10-23(11-15-24)31-28(33)26(27(32)30-29(31)36)17-19-7-12-25(13-8-19)35-18-20-6-9-21-4-2-3-5-22(21)16-20/h2-17H,18H2,1H3,(H,30,32,36)/b26-17-InChIKey
GWIZLNNQDVQQCB-ONUIUJJFSA-NSynonyms
(5Z)1(4METHOXYPHENYL)5((4(NAPHTHALEN2YLMETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4METHOXYPHENYL)5(4(NAPHTHALEN2YLMETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)OCc2ccc3c(c2)cccc3)C1=O
InChI=1SC29H22N2O4Sc13424141023(111524)3128(33)26(27(32)3029(31)36)171971225(13819)3518206921423522(21)1620h217H18H21H3(H303236)b2617
MFCD02379188
ZINC000009311140
ZINC09311140
ZINC9311140
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