Vitas-M small molecule compound

6-(4-methylphenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK558165
SMILES Cc1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1

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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 C17H14N4OS MW 322.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4OS/c1-12-7-9-13(10-8-12)16-20-21-15(18-19-17(21)23-16)11-22-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey
QQGUHOLSYBQRHC-UHFFFAOYSA-N
Synonyms
585555-92-6
((6(4METHYLPHENYL)124TRIAZOLO(34B)134THIADIAZOLIN3YL)METHOXY)BENZENE
3(phenoxymethyl)6(ptolyl)(124)triazolo(34b)(134)thiadiazole
585555926
6(4methylphenyl)3(phenoxymethyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)COC4=CC=CC=C4
InChI=1SC17H14N4OSc1127913(10812)16202115(181917(21)2316)1122145324614h210H11H21H3
MFCD04030505
ZINC000000532572
ZINC00532572
ZINC532572

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Available files

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