Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-benzyl-3-cyclohexyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK530987
SMILES O=c1c2c(sc3c2CCN(C3)Cc2ccccc2)nc(n1C1CCCCC1)SCc1ccc2c(c1)OCO2
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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 C30H31N3O3S2 MW 545.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3S2/c34-29-27-23-13-14-32(16-20-7-3-1-4-8-20)17-26(23)38-28(27)31-30(33(29)22-9-5-2-6-10-22)37-18-21-11-12-24-25(15-21)36-19-35-24/h1,3-4,7-8,11-12,15,22H,2,5-6,9-10,13-14,16-19H2InChIKey
VZVMBMPWYLCPST-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)7benzyl3cyclohexyl5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2((benzo(d)(13)dioxol5ylmethyl)thio)7benzyl3cyclohexyl5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2(13benzodioxol5ylmethylsulfanyl)7benzyl3cyclohexyl68dihydro5Hpyrido(23)thieno(24b)pyrimidin4one
C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC30H31N3O3S2c34292723131432(16207314820)1726(23)3828(27)3130(33(29)2295261022)37182111122425(1521)36193524h1347811121522H25691013141619H2
MFCD02241378
ZINC000097950980
ZINC97950980
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