Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK829949
SMILES C=CCn1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCC(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 C22H22N2O3S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S2/c1-3-8-24-21(25)19-15-6-4-13(2)9-18(15)29-20(19)23-22(24)28-11-14-5-7-16-17(10-14)27-12-26-16/h3,5,7,10,13H,1,4,6,8-9,11-12H2,2H3InChIKey
JZLGGTADCLSYHL-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)7methyl3(prop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(13benzodioxol5ylmethylsulfanyl)7methyl3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3allyl2((benzo(d)(13)dioxol5ylmethyl)thio)7methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C
InChI=1SC22H22N2O3S2c1382421(25)19156413(2)918(15)2920(19)2322(24)281114571617(1014)27122616h3571013H146891112H22H3
MFCD02241395
ZINC000000628197
ZINC000002679206
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