Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK721018
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)C)SCC(=O)c1ccc(cc1)Br)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 C27H25BrN2O3S2 MW 569.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O3S2/c1-15(2)22-12-20-23(13-33-22)35-25-24(20)26(32)30(19-10-4-16(3)5-11-19)27(29-25)34-14-21(31)17-6-8-18(28)9-7-17/h4-11,15,22H,12-14H2,1-3H3InChIKey
XFEUCTQUOLADPP-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(4methylphenyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((2(4bromophenyl)2oxoethyl)thio)6isopropyl3(ptolyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl3(4methylphenyl)6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Br)SC5=C3CC(OC5)C(C)C
InChI=1SC27H25BrN2O3S2c115(2)22122023(133322)352524(20)26(32)30(1910416(3)51119)27(2925)341421(31)176818(28)9717h4111522H1214H213H3
MFCD02991431
ZINC000001897689
ZINC000001897690
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