Vitas-M small molecule compound
2,6-bis{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3,7-diphenyltetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
Catalog ID
STK687832
SMILES COc1ccc(cc1)N1CCN(CC1)CN1C(=S)N2N(C1c1ccccc1)C(=S)N(C2c1ccccc1)CN1CCN(CC1)c1ccc(cc1)OC
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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 C40H46N8O2S2 MW 734.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H46N8O2S2/c1-49-35-17-13-33(14-18-35)43-25-21-41(22-26-43)29-45-37(31-9-5-3-6-10-31)47-40(52)46(38(48(47)39(45)51)32-11-7-4-8-12-32)30-42-23-27-44(28-24-42)34-15-19-36(50-2)20-16-34/h3-20,37-38H,21-30H2,1-2H3InChIKey
ATCCOXHBYHXTJE-UHFFFAOYSA-NSynonyms
26BIS((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)15DIPHENYL15DIHYDRO(124)TRIAZOLO(12A)(124)TRIAZOLE37DITHIONE
26bis((4(4methoxyphenyl)piperazin1yl)methyl)37diphenyltetrahydro1H5H(124)triazolo(12a)(124)triazole15dithione
COC1=CC=C(C=C1)N2CCN(CC2)CN3C(N4C(=S)N(C(N4C3=S)C5=CC=CC=C5)CN6CCN(CC6)C7=CC=C(C=C7)OC)C8=CC=CC=C8
InChI=1SC40H46N8O2S2c14935171333(141835)43252141(222643)294537(3195361031)4740(52)46(38(48(47)39(45)51)32117481232)3042232744(282442)34151936(502)201634h3203738H2130H212H3
MFCD07022109
ZINC000098008447
ZINC000098008449
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