Vitas-M small molecule compound
9-tert-butyl-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
STK309176
SMILES Cc1nnn(n1)C12CC3CC(C1)CC(C2)(C3)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(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 C27H34N8S MW 502.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N8S/c1-15-30-33-35(31-15)27-11-16-7-17(12-27)10-26(9-16,13-27)24-29-22-21-19-6-5-18(25(2,3)4)8-20(19)36-23(21)28-14-34(22)32-24/h14,16-18H,5-13H2,1-4H3InChIKey
SKMVDDZHIIBWNB-UHFFFAOYSA-NSynonyms
1052570-02-11052570021
9tertbutyl2(3(5methyl2Htetrazol2yl)tricyclo(3311~37~)dec1yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C5=NN6C=NC7=C(C6=N5)C8=C(S7)CC(CC8)C(C)(C)C
InChI=1SC27H34N8Sc115303335(3115)271116717(1227)1026(9161327)24292221196518(25(23)4)820(19)3623(21)281434(22)3224h141618H513H214H3
MFCD04133724
ZINC000103154054
ZINC000103549068
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