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-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK831476
SMILES C=CCn1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CC(C)(C)OCc1s2

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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 C22H22N2O4S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S2/c1-4-7-24-20(25)18-14-9-22(2,3)28-10-17(14)30-19(18)23-21(24)29-11-13-5-6-15-16(8-13)27-12-26-15/h4-6,8H,1,7,9-12H2,2-3H3
InChIKey
ZHMIWFNEEOREOE-UHFFFAOYSA-N
Synonyms

2((13benzodioxol5ylmethyl)sulfanyl)66dimethyl3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(13benzodioxol5ylmethylsulfanyl)66dimethyl3prop2enyl58dihydropyrano(23)thieno(24b)pyrimidin4one
3allyl2((benzo(d)(13)dioxol5ylmethyl)thio)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C)C
InChI=1SC22H22N2O4S2c1472420(25)1814922(23)281017(14)3019(18)2321(24)291113561516(813)27122615h468H17912H223H3
MFCD02240235
ZINC000000985961
ZINC00985961
ZINC985961

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Available files

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