Vitas-M small molecule compound
1-(benzylsulfanyl)-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
STK722359
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCc1ccccc1
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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 C26H24N4O2S2 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O2S2/c1-32-19-14-12-18(13-15-19)29-23(31)22-20-10-6-3-7-11-21(20)34-24(22)30-25(29)27-28-26(30)33-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3InChIKey
NCXKZMCYZRRLEI-UHFFFAOYSA-NSynonyms
1(benzylsulfanyl)4(4methoxyphenyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)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=CC=C5)SC6=C3CCCCC6
InChI=1SC26H24N4O2S2c13219141218(131519)2923(31)2220106371121(20)3424(22)3025(29)272826(30)3316178425917h245891215H367101116H21H3
MFCD01995980
ZINC000002296316
ZINC02296316
ZINC2296316
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