Vitas-M small molecule compound
7-benzyl-2-[(4-methoxybenzyl)sulfanyl]-3-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK530851
SMILES COc1ccccc1n1c(SCc2ccc(cc2)OC)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1
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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 C31H29N3O3S2 MW 555.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3S2/c1-36-23-14-12-22(13-15-23)20-38-31-32-29-28(30(35)34(31)25-10-6-7-11-26(25)37-2)24-16-17-33(19-27(24)39-29)18-21-8-4-3-5-9-21/h3-15H,16-20H2,1-2H3InChIKey
XUHPOARZOKUXJU-UHFFFAOYSA-NSynonyms
7benzyl2((4methoxybenzyl)sulfanyl)3(2methoxyphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
7benzyl2((4methoxybenzyl)thio)3(2methoxyphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
7benzyl3(2methoxyphenyl)2((4methoxyphenyl)methylsulfanyl)68dihydro5Hpyrido(23)thieno(24b)pyrimidin4one
COC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2C6=CC=CC=C6OC
InChI=1SC31H29N3O3S2c13623141222(131523)203831322928(30(35)34(31)2510671126(25)372)24161733(1927(24)3929)18218435921h315H1620H212H3
MFCD02240280
ZINC000053319274
ZINC53319274
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