Vitas-M small molecule compound
3-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK754308
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)N1C(=S)NC(C=C1C)(C)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 C20H22N2O3S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S2/c1-14-8-10-18(11-9-14)27(23,24)25-17-7-5-6-16(12-17)22-15(2)13-20(3,4)21-19(22)26/h5-13H,1-4H3,(H,21,26)InChIKey
LNPUZIATNBATHQ-UHFFFAOYSA-NSynonyms
(3(466TRIMETHYL2SULFANYLIDENE1HPYRIMIDIN3YL)PHENYL)4METHYLBENZENESULFONATE
3(446TRIMETHYL2THIOXO134TRIHYDROPYRIMIDINYL)PHENYL4METHYLBENZENESULFONATE
3(446trimethyl2thioxo34dihydropyrimidin1(2H)yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C(=CC(NC3=S)(C)C)C
InChI=1SC20H22N2O3S2c11481018(11914)27(2324)251775616(1217)2215(2)1320(34)2119(22)26h513H14H3(H2126)
MFCD00689897
ZINC000003065160
ZINC03065160
ZINC3065160
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