Vitas-M small molecule compound

2-(3,4-dimethoxybenzyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK860243
SMILES COc1ccc(cc1OC)Cc1nc2n(n1)cnc1c2c2CCCCCc2s1

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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-26-15-9-8-13(10-16(15)27-2)11-18-23-20-19-14-6-4-3-5-7-17(14)28-21(19)22-12-25(20)24-18/h8-10,12H,3-7,11H2,1-2H3
InChIKey
NLHMCEPNTYBOFJ-UHFFFAOYSA-N
Synonyms
375352-14-0
2(34dimethoxybenzyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
375352140
COC1=C(C=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5)OC
InChI=1SC21H22N4O2Sc126159813(1016(15)272)1118232019146435717(14)2821(19)221225(20)2418h81012H3711H212H3
MFCD02237825
ZINC000000894766
ZINC00894766
ZINC894766

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Available files

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