Vitas-M small molecule compound

Catalog ID
STK568531
SMILES O=S(=O)(c1cccc2c1nsn2)/N=c/1\[nH]c2ccccc2nc1NCc1ccccc1

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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 C21H16N6O2S2 MW 448.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O2S2/c28-31(29,18-12-6-11-17-19(18)26-30-25-17)27-21-20(22-13-14-7-2-1-3-8-14)23-15-9-4-5-10-16(15)24-21/h1-12H,13H2,(H,22,23)(H,24,27)
InChIKey
XBDFXXUAJOFQLE-UHFFFAOYSA-N
Synonyms
1002513-23-6
1002513236
MFCD05736116
O=S(=O)(c1cccc2c1nsn2)N=c1(nH)c2ccccc2nc1NCc1ccccc1
ZINC000002409094

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Available files

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