Vitas-M small molecule compound

3-tert-butyl-6-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK289478
SMILES COc1ccc(cc1)OCc1nn2c(s1)nnc2C(C)(C)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 C15H18N4O2S MW 318.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O2S/c1-15(2,3)13-16-17-14-19(13)18-12(22-14)9-21-11-7-5-10(20-4)6-8-11/h5-8H,9H2,1-4H3
InChIKey
LQGNWYVTRQHBJU-UHFFFAOYSA-N
Synonyms
876886-53-2
3(tertbutyl)6((4methoxyphenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
3TERTBUTYL6((4METHOXYPHENOXY)METHYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
876886532
CC(C)(C)C1=NN=C2N1N=C(S2)COC3=CC=C(C=C3)OC
InChI=1SC15H18N4O2Sc115(23)1316171419(13)1812(2214)921117510(204)6811h58H9H214H3
MFCD06772698
ZINC000004487509
ZINC04487509
ZINC4487509

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Available files

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