Vitas-M small molecule compound
9-tert-butyl-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
STK308713
SMILES CC(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 C26H32N8S MW 488.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N8S/c1-24(2,3)17-4-5-18-19(7-17)35-22-20(18)21-30-23(31-33(21)14-27-22)25-8-15-6-16(9-25)11-26(10-15,12-25)34-29-13-28-32-34/h13-17H,4-12H2,1-3H3InChIKey
VVDKEJHIHAJRPW-UHFFFAOYSA-NSynonyms
1052568-36-11052568361
9tertbutyl2(3(2Htetrazol2yl)tricyclo(3311~37~)dec1yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C56CC7CC(C5)CC(C7)(C6)N8N=CN=N8
InChI=1SC26H32N8Sc124(23)17451819(717)352220(18)213023(3133(21)142722)25815616(925)1126(10151225)342913283234h1317H412H213H3
MFCD04132571
ZINC000013642779
ZINC000013642782
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