Vitas-M small molecule compound
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK309152
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl)(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 C28H34ClN7S MW 536.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34ClN7S/c1-4-26(2,3)18-5-6-19-20(8-18)37-23-21(19)22-32-24(33-35(22)14-30-23)27-9-16-7-17(10-27)12-28(11-16,13-27)36-15-31-25(29)34-36/h14-18H,4-13H2,1-3H3InChIKey
DLDOAEOBTZNAQJ-UHFFFAOYSA-NSynonyms
1052569-80-81052569808
2(3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)9(2methylbutan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C56CC7CC(C5)CC(C7)(C6)N8C=NC(=N8)Cl
InChI=1SC28H34ClN7Sc1426(23)18561920(818)372321(19)223224(3335(22)143023)27916717(1027)1228(11161327)36153125(29)3436h1418H413H213H3
MFCD04133664
ZINC000098046049
ZINC000098046050
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