Vitas-M small molecule compound

2-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-1,5-dimethyl-1H-indole

Catalog ID
STK250429
SMILES COc1ccc(cc1)Cc1nnc(s1)c1cc2c(n1C)ccc(c2)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 C20H19N3OS MW 349.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3OS/c1-13-4-9-17-15(10-13)12-18(23(17)2)20-22-21-19(25-20)11-14-5-7-16(24-3)8-6-14/h4-10,12H,11H2,1-3H3
InChIKey
BALDDGDCRVHGCY-UHFFFAOYSA-N
Synonyms

2(15dimethylindol2yl)5((4methoxyphenyl)methyl)134thiadiazole
2(5(4methoxybenzyl)134thiadiazol2yl)15dimethyl1Hindole
CC1=CC2=C(C=C1)N(C(=C2)C3=NN=C(S3)CC4=CC=C(C=C4)OC)C
InChI=1SC20H19N3OSc113491715(1013)1218(23(17)2)20222119(2520)11145716(243)8614h41012H11H213H3
MFCD08681024
ZINC000009668918
ZINC09668918
ZINC9668918

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Available files

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