Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK543730
SMILES C=CCn1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CC(C)(C)SCc1s2
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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 C22H22N2O3S3 MW 458.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S3/c1-4-7-24-20(25)18-14-9-22(2,3)29-11-17(14)30-19(18)23-21(24)28-10-13-5-6-15-16(8-13)27-12-26-15/h4-6,8H,1,7,9-12H2,2-3H3InChIKey
YQKLPCOSZMRDFZ-UHFFFAOYSA-NSynonyms
487022-51-52((13benzodioxol5ylmethyl)sulfanyl)66dimethyl3(prop2en1yl)3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin4one
2(13benzodioxol5ylmethylsulfanyl)66dimethyl3prop2enyl58dihydrothiopyrano(23)thieno(24b)pyrimidin4one
3allyl2((benzo(d)(13)dioxol5ylmethyl)thio)66dimethyl56dihydro3Hthiopyrano(4345)thieno(23d)pyrimidin4(8H)one
CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C)C
Registry IDs
MFCD03286465ZINC000001246569
ZINC01246569
ZINC1246569
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