Vitas-M small molecule compound

1-(1-ethyl-1H-indol-3-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK497822
SMILES CCn1cc(c2c1cccc2)C(=O)CSc1nnc(n1c1ccccc1)c1ccncc1

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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 C25H21N5OS MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5OS/c1-2-29-16-21(20-10-6-7-11-22(20)29)23(31)17-32-25-28-27-24(18-12-14-26-15-13-18)30(25)19-8-4-3-5-9-19/h3-16H,2,17H2,1H3
InChIKey
CHPPRBPYRGQUDY-UHFFFAOYSA-N
Synonyms

1(1ethyl1Hindol3yl)2((4phenyl5(pyridin4yl)4H124triazol3yl)sulfanyl)ethanone
1(1ethylindol3yl)2((4phenyl5pyridin4yl124triazol3yl)sulfanyl)ethanone
CCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5
InChI=1SC25H21N5OSc12291621(2010671122(20)29)23(31)173225282724(18121426151318)30(25)198435919h316H217H21H3
MFCD09176104
ZINC000010559171
ZINC10559171

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Available files

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