Vitas-M small molecule compound
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]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
STK540049
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)Cc1ccccc1)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/c1-16(2)22-12-20-23(14-33-22)35-25-24(20)26(32)30(13-17-6-4-3-5-7-17)27(29-25)34-15-21(31)18-8-10-19(28)11-9-18/h3-11,16,22H,12-15H2,1-2H3InChIKey
XVOHYYGUIDWRTH-UHFFFAOYSA-NSynonyms
3benzyl2((2(4bromophenyl)2oxoethyl)sulfanyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
3benzyl2((2(4bromophenyl)2oxoethyl)thio)6isopropyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
3benzyl2(2(4bromophenyl)2oxoethyl)sulfanyl6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5
InChI=1SC27H25BrN2O3S2c116(2)22122023(143322)352524(20)26(32)30(13176435717)27(2925)341521(31)1881019(28)11918h3111622H1215H212H3
MFCD03007597
ZINC000001813817
ZINC000001813818
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