Vitas-M small molecule compound
9-tert-butyl-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
STK309151
SMILES CC(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 C27H34N8S MW 502.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N8S/c1-25(2,3)18-4-5-19-20(7-18)36-24-22(19)23-31-21(32-34(23)15-28-24)12-26-8-16-6-17(9-26)11-27(10-16,13-26)35-30-14-29-33-35/h14-18H,4-13H2,1-3H3InChIKey
QDSORBDUGQOSAX-UHFFFAOYSA-NSynonyms
1052569-38-61052569386
9tertbutyl2((3(2Htetrazol2yl)tricyclo(3311~37~)dec1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CC56CC7CC(C5)CC(C7)(C6)N8N=CN=N8
InChI=1SC27H34N8Sc125(23)18451920(718)362422(19)233121(3234(23)152824)1226816617(926)1127(10161326)353014293335h1418H413H213H3
MFCD04133663
ZINC000013642887
ZINC000013642890
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