Vitas-M small molecule compound
9-(2-methylbutan-2-yl)-2-{[3-(2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308895
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)CC12CC3CC(C1)CC(C2)(C3)n1nncn1)(C)C
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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 C28H36N8S MW 516.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N8S/c1-4-26(2,3)19-5-6-20-21(8-19)37-25-23(20)24-32-22(33-35(24)16-29-25)13-27-9-17-7-18(10-27)12-28(11-17,14-27)36-31-15-30-34-36/h15-19H,4-14H2,1-3H3InChIKey
FYQATZACNGQVDG-UHFFFAOYSA-NSynonyms
1052568-54-31052568543
9(2methylbutan2yl)2((3(2Htetrazol2yl)tricyclo(3311~37~)dec1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CC56CC7CC(C5)CC(C7)(C6)N8N=CN=N8
InChI=1SC28H36N8Sc1426(23)19562021(819)372523(20)243222(3335(24)162925)1327917718(1027)1228(11171427)363115303436h1519H414H213H3
MFCD04132886
ZINC000013642791
ZINC000013642794
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