Vitas-M small molecule compound

Catalog ID
STK665598
SMILES c1ccc(cc1)Cn1c(nnc1COc1ccccc1)SCc1ccc2c(c1)nsn2

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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 C23H19N5OS2 MW 445.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5OS2/c1-3-7-17(8-4-1)14-28-22(15-29-19-9-5-2-6-10-19)24-25-23(28)30-16-18-11-12-20-21(13-18)27-31-26-20/h1-13H,14-16H2
InChIKey
XCSCEDFMZPSHAQ-UHFFFAOYSA-N
Synonyms

5((4benzyl5(phenoxymethyl)124triazol3yl)sulfanylmethyl)213benzothiadiazole
C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC4=NSN=C4C=C3)COC5=CC=CC=C5
InChI=1SC23H19N5OS2c13717(841)142822(15291995261019)242523(28)30161811122021(1318)27312620h113H1416H2
MFCD13990732
ZINC000012376607
ZINC12376607

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Available files

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