Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK015744
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)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 C26H23BrN2O4S2 MW 571.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O4S2/c1-26(2)12-19-21(13-33-26)35-23-22(19)24(31)29(17-8-10-18(32-3)11-9-17)25(28-23)34-14-20(30)15-4-6-16(27)7-5-15/h4-11H,12-14H2,1-3H3InChIKey
VUJLSUAFVIWBKH-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((2(4bromophenyl)2oxoethyl)thio)3(4methoxyphenyl)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl3(4methoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC)C
COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)OCc1s2
InChI=1SC26H23BrN2O4S2c126(2)121921(133326)352322(19)24(31)29(1781018(323)11917)25(2823)341420(30)154616(27)7515h411H1214H213H3
MFCD01560716
STK015744
ZINC000002593976
ZINC2593976
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