Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720520
SMILES Cn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc2c(c1)OCO2
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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 C20H18N4O3S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S2/c1-23-17(25)16-12-4-2-3-5-15(12)29-18(16)24-19(23)21-22-20(24)28-9-11-6-7-13-14(8-11)27-10-26-13/h6-8H,2-5,9-10H2,1H3InChIKey
FGIHCYTYZSBWGS-UHFFFAOYSA-NSynonyms
488804-39-31((13benzodioxol5ylmethyl)sulfanyl)4methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
488804393
CN1C(=O)C2=C(N3C1=NN=C3SCC4=CC5=C(C=C4)OCO5)SC6=C2CCCC6
InChI=1SC20H18N4O3S2c12317(25)1612423515(12)2918(16)2419(23)212220(24)28911671314(811)27102613h68H25910H21H3
MFCD03293275
ZINC000001253628
ZINC01253628
ZINC1253628
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