Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK720385
SMILES O=C(c1ccccc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
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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 C26H22N4OS3 MW 502.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4OS3/c31-20(18-11-5-2-6-12-18)16-33-26-29-28-23-22-19-13-7-8-14-21(19)34-24(22)27-25(30(23)26)32-15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2InChIKey
ILZJTGYUZUCDLU-UHFFFAOYSA-NSynonyms
578736-69-32((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1phenylethanone
2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1phenylethanone
578736693
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC(=O)C5=CC=CC=C5)SCC6=CC=CC=C6
InChI=1SC26H22N4OS3c3120(18115261218)163326292823221913781421(19)3424(22)2725(30(23)26)32151793141017h16912H781316H2
MFCD04031857
ZINC000002394850
ZINC02394850
ZINC2394850
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