Vitas-M small molecule compound
7-benzyl-3-cyclohexyl-2-[(4-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK530548
SMILES COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C3)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 C30H33N3O2S2 MW 531.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2S2/c1-35-24-14-12-22(13-15-24)20-36-30-31-28-27(29(34)33(30)23-10-6-3-7-11-23)25-16-17-32(19-26(25)37-28)18-21-8-4-2-5-9-21/h2,4-5,8-9,12-15,23H,3,6-7,10-11,16-20H2,1H3InChIKey
YWMBTJGIXBPWRQ-UHFFFAOYSA-NSynonyms
7benzyl3cyclohexyl2((4methoxybenzyl)sulfanyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
7benzyl3cyclohexyl2((4methoxybenzyl)thio)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
7benzyl3cyclohexyl2((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)N2C6CCCCC6
InChI=1SC30H33N3O2S2c13524141222(131524)203630312827(29(34)33(30)23106371123)25161732(1926(25)3728)18218425921h24589121523H36710111620H21H3
MFCD02237740
ZINC000019940141
ZINC19940141
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