Vitas-M small molecule compound

5-(2-chlorophenyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

Catalog ID
STK549413
SMILES Clc1ccccc1c1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CCCC3

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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 C26H21ClN4S2 MW 489.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4S2/c27-20-14-6-4-12-18(20)23-28-25-22(19-13-5-7-15-21(19)33-25)24-29-30-26(31(23)24)32-16-8-11-17-9-2-1-3-10-17/h1-4,6,8-12,14H,5,7,13,15-16H2/b11-8+
InChIKey
WZICNGOUAKNOGN-DHZHZOJOSA-N
Synonyms
799826-26-9
5(2chlorophenyl)3(((2E)3phenylprop2en1yl)sulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
5(2chlorophenyl)3(cinnamylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
799826269
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC=CC5=CC=CC=C5)C6=CC=CC=C6Cl
Clc1ccccc1c1nc2sc3c(c2c2n1c(SCC=Cc1ccccc1)nn2)CCCC3
InChI=1SC26H21ClN4S2c272014641218(20)23282522(1913571521(19)3325)24293026(31(23)24)32168111792131017h14681214H57131516H2b118+
MFCD03683327
ZINC000002239531
ZINC02239531
ZINC2239531

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Available files

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