Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK829989
SMILES C=CCn1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCc1s2
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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 C20H18N2O3S2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3S2/c1-2-8-22-19(23)17-13-4-3-5-16(13)27-18(17)21-20(22)26-10-12-6-7-14-15(9-12)25-11-24-14/h2,6-7,9H,1,3-5,8,10-11H2InChIKey
VBFRGMQJKGSEAC-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)3(prop2en1yl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
3(13benzodioxol5ylmethylsulfanyl)2prop2enyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin1one
3allyl2((benzo(d)(13)dioxol5ylmethyl)thio)67dihydro3Hcyclopenta(45)thieno(23d)pyrimidin4(5H)one
C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC5=C2CCC5
InChI=1SC20H18N2O3S2c1282219(23)171343516(13)2718(17)2120(22)261012671415(912)25112414h2679H13581011H2
MFCD02234380
ZINC000000985913
ZINC00985913
ZINC985913
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