Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-[(2-phenylethyl)sulfanyl]-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
STK722360
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCCc1ccccc1
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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 C27H26N4O2S2 MW 502.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S2/c1-33-20-14-12-19(13-15-20)30-24(32)23-21-10-6-3-7-11-22(21)35-25(23)31-26(30)28-29-27(31)34-17-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1H3InChIKey
HZHCKOGIECORSA-UHFFFAOYSA-NSynonyms
351005-17-9351005179
4(4methoxyphenyl)1((2phenylethyl)sulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4methoxyphenyl)1(phenethylthio)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCCC5=CC=CC=C5)SC6=C3CCCCC6
InChI=1SC27H26N4O2S2c13320141219(131520)3024(32)2321106371122(21)3525(23)3126(30)282927(31)341716188425918h245891215H36710111617H21H3
MFCD01959380
ZINC000002288606
ZINC02288606
ZINC2288606
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