Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK540404
SMILES Cc1cccc(c1)n1c2nnc(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 C26H22N4O3S2 MW 502.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S2/c1-15-5-4-6-17(11-15)29-23(31)22-18-7-2-3-8-21(18)35-24(22)30-25(29)27-28-26(30)34-13-16-9-10-19-20(12-16)33-14-32-19/h4-6,9-12H,2-3,7-8,13-14H2,1H3InChIKey
JFOGHWMWJIVKID-UHFFFAOYSA-NSynonyms
385390-45-41((13benzodioxol5ylmethyl)sulfanyl)4(3methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4(mtolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
385390454
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC6=C(C=C5)OCO6)SC7=C3CCCC7
InChI=1SC26H22N4O3S2c11554617(1115)2923(31)2218723821(18)3524(22)3025(29)272826(30)3413169101920(1216)33143219h46912H23781314H21H3
MFCD03285673
ZINC000001777518
ZINC01777518
ZINC1777518
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