Vitas-M small molecule compound

2-{[3-(2H-benzotriazol-2-yl)-4-ethoxybenzyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Catalog ID
STK779084
SMILES CCOc1ccc(cc1n1nc2c(n1)cccc2)CSc1nc2CCCCCc2cc1C#N

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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 C26H25N5OS MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS/c1-2-32-25-13-12-18(14-24(25)31-29-22-10-6-7-11-23(22)30-31)17-33-26-20(16-27)15-19-8-4-3-5-9-21(19)28-26/h6-7,10-15H,2-5,8-9,17H2,1H3
InChIKey
ZSHYZDKLQCGWOG-UHFFFAOYSA-N
Synonyms

2((3(2Hbenzotriazol2yl)4ethoxybenzyl)sulfanyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2((3(benzotriazol2yl)4ethoxyphenyl)methylsulfanyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
CCOC1=C(C=C(C=C1)CSC2=NC3=C(CCCCC3)C=C2C#N)N4N=C5C=CC=CC5=N4
InChI=1SC26H25N5OSc123225131218(1424(25)31292210671123(22)3031)17332620(1627)15198435921(19)2826h671015H258917H21H3
MFCD05857984
ZINC000012412255
ZINC12412255

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Available files

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