Vitas-M small molecule compound
3-(4-methoxyphenyl)-6,6-dimethyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK553512
SMILES COc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C27H26N2O3S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S2/c1-27(2)16-21-22(17-32-27)34-24-23(21)25(30)29(19-11-13-20(31-3)14-12-19)26(28-24)33-15-7-10-18-8-5-4-6-9-18/h4-14H,15-17H2,1-3H3/b10-7+InChIKey
HRHNSPNDTHIDMS-JXMROGBWSA-NSynonyms
799785-58-32(cinnamylthio)3(4methoxyphenyl)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
3(4methoxyphenyl)66dimethyl2(((2E)3phenylprop2en1yl)sulfanyl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
3(4methoxyphenyl)66dimethyl2((E)3phenylprop2enyl)sulfanyl58dihydropyrano(23)thieno(24b)pyrimidin4one
799785583
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC=CC4=CC=CC=C4)C5=CC=C(C=C5)OC)C
COc1ccc(cc1)n1c(SCC=Cc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2
InChI=1SC27H26N2O3S2c127(2)162122(173227)342423(21)25(30)29(19111320(313)141219)26(2824)3315710188546918h414H1517H213H3b107+
MFCD03675354
ZINC000002213613
ZINC02213613
ZINC2213613
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