Vitas-M small molecule compound

1-[(4-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Catalog ID
STK525646
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCc1ccc(cc1)Br

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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 C26H23BrN4O2S2 MW 567.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN4O2S2/c1-33-19-13-11-18(12-14-19)30-23(32)22-20-5-3-2-4-6-21(20)35-24(22)31-25(30)28-29-26(31)34-15-16-7-9-17(27)10-8-16/h7-14H,2-6,15H2,1H3
InChIKey
XFJKQTRUYZMOJO-UHFFFAOYSA-N
Synonyms

1((4bromobenzyl)sulfanyl)4(4methoxyphenyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4bromobenzyl)thio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)Br)SC6=C3CCCCC6
InChI=1SC26H23BrN4O2S2c13319131118(121419)3023(32)22205324621(20)3524(22)3125(30)282926(31)3415167917(27)10816h714H2615H21H3
MFCD01955095
ZINC000001815587
ZINC01815587
ZINC1815587

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Available files

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