Vitas-M small molecule compound
3-(3-methylphenyl)-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK844777
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SC/C=C/c1ccccc1)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 C28H28N2O2S2 MW 488.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2S2/c1-18(2)23-16-22-24(17-32-23)34-26-25(22)27(31)30(21-13-7-9-19(3)15-21)28(29-26)33-14-8-12-20-10-5-4-6-11-20/h4-13,15,18,23H,14,16-17H2,1-3H3/b12-8+InChIKey
YQZBRMYYMFGNBV-XYOKQWHBSA-NSynonyms
799837-37-92(cinnamylthio)6isopropyl3(mtolyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
3(3methylphenyl)2(((2E)3phenylprop2en1yl)sulfanyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
3(3methylphenyl)2((E)3phenylprop2enyl)sulfanyl6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
799837379
CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCC=Cc1ccccc1)C
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=CC4=CC=CC=C4)SC5=C3CC(OC5)C(C)C
InChI=1SC28H28N2O2S2c118(2)23162224(173223)342625(22)27(31)30(21137919(3)1521)28(2926)331481220105461120h413151823H141617H213H3b128+
MFCD03685546
ZINC000002247121
ZINC000002247123
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