Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-benzyl-3-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK543875
SMILES Cc1cccc(c1)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 C31H27N3O3S2 MW 553.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O3S2/c1-20-6-5-9-23(14-20)34-30(35)28-24-12-13-33(16-21-7-3-2-4-8-21)17-27(24)39-29(28)32-31(34)38-18-22-10-11-25-26(15-22)37-19-36-25/h2-11,14-15H,12-13,16-19H2,1H3InChIKey
XLBRIEJRSHTNGE-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)7benzyl3(3methylphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2((benzo(d)(13)dioxol5ylmethyl)thio)7benzyl3(mtolyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
2(13benzodioxol5ylmethylsulfanyl)7benzyl3(3methylphenyl)68dihydro5Hpyrido(23)thieno(24b)pyrimidin4one
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC31H27N3O3S2c12065923(1420)3430(35)2824121333(16217324821)1727(24)3929(28)3231(34)38182210112526(1522)37193625h2111415H12131619H21H3
MFCD03290868
ZINC000001755420
ZINC1755420
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