Vitas-M small molecule compound

5-butyl-3-[(4-fluorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

Catalog ID
STK215894
SMILES CCCCn1c2ccccc2c2c1nc(SCc1ccc(cc1)F)nn2

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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 C20H19FN4S MW 366.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN4S/c1-2-3-12-25-17-7-5-4-6-16(17)18-19(25)22-20(24-23-18)26-13-14-8-10-15(21)11-9-14/h4-11H,2-3,12-13H2,1H3
InChIKey
UCAMROTZXLQSHF-UHFFFAOYSA-N
Synonyms
710982-91-5
5BUTYL3((4FLUOROBENZYL)SULFANYL)5H(124)TRIAZINO(56B)INDOLE
5BUTYL3((4FLUOROPHENYL)METHYLSULFANYL)(124)TRIAZINO(56B)INDOLE
710982915
CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=C(C=C4)F
InChI=1SC20H19FN4Sc123122517754616(17)1819(25)2220(242318)26131481015(21)11914h411H231213H21H3
MFCD05996568
ZINC000002864490
ZINC02864490
ZINC2864490

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Available files

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