Vitas-M small molecule compound

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

Catalog ID
STK777121
SMILES Fc1cccc(c1CSc1nnc2c(n1)n(C(C)C)c1c2cccc1)Cl

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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 C19H16ClFN4S MW 386.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClFN4S/c1-11(2)25-16-9-4-3-6-12(16)17-18(25)22-19(24-23-17)26-10-13-14(20)7-5-8-15(13)21/h3-9,11H,10H2,1-2H3
InChIKey
ATFGECDZHAVUDM-UHFFFAOYSA-N
Synonyms

3((2chloro6fluorobenzyl)sulfanyl)5(propan2yl)5H(124)triazino(56b)indole
3((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)5PROPAN2YL(124)TRIAZINO(56B)INDOLE
CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=C(C=CC=C4Cl)F
InChI=1SC19H16ClFN4Sc111(2)2516943612(16)1718(25)2219(242317)26101314(20)75815(13)21h3911H10H212H3
MFCD05260023
ZINC000004690175
ZINC04690175
ZINC4690175

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Available files

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