Vitas-M small molecule compound
9-(2-methylbutan-2-yl)-2-[3-(5-methyl-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
STK309172
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)C12CC3CC(C1)CC(C2)(C3)n1nnc(n1)C)(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/c1-5-26(3,4)19-6-7-20-21(9-19)37-24-22(20)23-30-25(33-35(23)15-29-24)27-10-17-8-18(11-27)13-28(12-17,14-27)36-32-16(2)31-34-36/h15,17-19H,5-14H2,1-4H3InChIKey
BNOCBLPKLOHXII-UHFFFAOYSA-NSynonyms
1052569-90-01052569900
9(2methylbutan2yl)2(3(5methyl2Htetrazol2yl)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=C(N=N8)C
InChI=1SC28H36N8Sc1526(34)19672021(919)372422(20)233025(3335(23)152924)271017818(1127)1328(12171427)363216(2)313436h151719H514H214H3
MFCD04133713
ZINC000013642895
ZINC000013642898
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