Vitas-M small molecule compound

(1E)-1-(4-bromophenyl)-N-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)ethanimine

Catalog ID
STK005606
SMILES Brc1ccc(cc1)/C(=N/OCc1nc2n(n1)cnc1c2c2CCCCCc2s1)/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 C21H20BrN5OS MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5OS/c1-13(14-7-9-15(22)10-8-14)26-28-11-18-24-20-19-16-5-3-2-4-6-17(16)29-21(19)23-12-27(20)25-18/h7-10,12H,2-6,11H2,1H3/b26-13+
InChIKey
BQMGKWLMCQDWQH-LGJNPRDNSA-N
Synonyms

(1E)1(4bromophenyl)N(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2ylmethoxy)ethanimine
(E)1(4bromophenyl)ethanoneO((9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
Brc1ccc(cc1)C(=NOCc1nc2n(n1)cnc1c2c2CCCCCc2s1)C
CC(=NOCC1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCCC4)C5=CC=C(C=C5)Br
InChI=1SC21H20BrN5OSc113(147915(22)10814)26281118242019165324617(16)2921(19)231227(20)2518h71012H2611H21H3b2613+
MFCD02920609
STK005606
ZINC000008952130
ZINC13645025

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Available files

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