Vitas-M small molecule compound

2-[(4-chlorobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK558336
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)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 C25H24ClN3O2S2 MW 498.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O2S2/c1-3-31-19-10-8-18(9-11-19)29-24(30)22-20-12-13-28(2)14-21(20)33-23(22)27-25(29)32-15-16-4-6-17(26)7-5-16/h4-11H,3,12-15H2,1-2H3
InChIKey
YBISUYPBTDXBAB-UHFFFAOYSA-N
Synonyms
578733-02-5
2((4chlorobenzyl)sulfanyl)3(4ethoxyphenyl)7methyl5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2((4chlorobenzyl)thio)3(4ethoxyphenyl)7methyl5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2((4chlorophenyl)methylsulfanyl)3(4ethoxyphenyl)7methyl68dihydro5Hpyrido(23)thieno(24b)pyrimidin4one
578733025
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Cl)SC5=C3CCN(C5)C
InChI=1SC25H24ClN3O2S2c13311910818(91119)2924(30)2220121328(2)1421(20)3323(22)2725(29)3215164617(26)7516h411H31215H212H3
MFCD04031505
ZINC000020331525
ZINC20331525

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.