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]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK309091
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)C12CC3CC(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/c1-4-25(2,3)18-5-6-19-20(8-18)36-23-21(19)22-31-24(32-34(22)15-28-23)26-9-16-7-17(10-26)12-27(11-16,13-26)35-30-14-29-33-35/h14-18H,4-13H2,1-3H3InChIKey
JZMFRHYFGADLNV-UHFFFAOYSA-NSynonyms
1052569-24-01052569240
9(2methylbutan2yl)2(3(2Htetrazol2yl)tricyclo(3311~37~)dec1yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C56CC7CC(C5)CC(C7)(C6)N8N=CN=N8
InChI=1SC27H34N8Sc1425(23)18561920(818)362321(19)223124(3234(22)152823)26916717(1026)1227(11161326)353014293335h1418H413H213H3
MFCD04133493
ZINC000013642857
ZINC000013642860
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