Vitas-M small molecule compound

2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-benzyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK531129
SMILES COc1ccc(cc1)n1c(SCc2ccc3c(c2)OCO3)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 C31H27N3O4S2 MW 569.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O4S2/c1-36-23-10-8-22(9-11-23)34-30(35)28-24-13-14-33(16-20-5-3-2-4-6-20)17-27(24)40-29(28)32-31(34)39-18-21-7-12-25-26(15-21)38-19-37-25/h2-12,15H,13-14,16-19H2,1H3
InChIKey
WREXHFJWVGNLND-UHFFFAOYSA-N
Synonyms

2((13benzodioxol5ylmethyl)sulfanyl)7benzyl3(4methoxyphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2((benzo(d)(13)dioxol5ylmethyl)thio)7benzyl3(4methoxyphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2(13benzodioxol5ylmethylsulfanyl)7benzyl3(4methoxyphenyl)68dihydro5Hpyrido(23)thieno(24b)pyrimidin4one
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC31H27N3O4S2c1362310822(91123)3430(35)2824131433(16205324620)1727(24)4029(28)3231(34)3918217122526(1521)38193725h21215H13141619H21H3
MFCD02242597
ZINC000053306195
ZINC53306195

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Available files

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