Vitas-M small molecule compound

9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol

Catalog ID
STK829966
SMILES Sc1nnc2n1cnc1c2c2CCC(Cc2s1)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 C15H18N4S2 MW 318.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4S2/c1-15(2,3)8-4-5-9-10(6-8)21-13-11(9)12-17-18-14(20)19(12)7-16-13/h7-8H,4-6H2,1-3H3,(H,18,20)
InChIKey
MUUGSJVDJUNHBI-UHFFFAOYSA-N
Synonyms
351005-90-8
351005908
9(tertbutyl)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine3thiol
9tertbutyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine3thiol
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NNC(=S)N4C=N3
InChI=1SC15H18N4S2c115(23)845910(68)211311(9)12171814(20)19(12)71613h78H46H213H3(H1820)
MFCD01946608
ZINC000000442859
ZINC000000442860
ZINC00442859
ZINC00442860

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.