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-(4-bromophenyl)ethanone
Catalog ID
STK556818
SMILES Brc1ccc(cc1)C(=O)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 C26H21BrN4OS3 MW 581.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4OS3/c27-18-12-10-17(11-13-18)20(32)15-34-26-30-29-23-22-19-8-4-5-9-21(19)35-24(22)28-25(31(23)26)33-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2InChIKey
JRXNGJPEAXAUMF-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1(4bromophenyl)ethanone
2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1(4bromophenyl)ethanone
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SCC6=CC=CC=C6
InChI=1SC26H21BrN4OS3c2718121017(111318)20(32)1534263029232219845921(19)3524(22)2825(31(23)26)3314166213716h13671013H45891415H2
MFCD04020642
ZINC000001884748
ZINC01884748
ZINC1884748
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