Vitas-M small molecule compound

Catalog ID
STL042117
SMILES CCCCOC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

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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 C25H22N6O4S2 MW 534.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O4S2/c1-2-3-15-35-25(32)16-11-13-17(14-12-16)26-23-24(28-19-8-5-4-7-18(19)27-23)31-37(33,34)21-10-6-9-20-22(21)30-36-29-20/h4-14H,2-3,15H2,1H3,(H,26,27)(H,28,31)
InChIKey
TXMCIDPKHFDBFS-UHFFFAOYSA-N
Synonyms
1004444-26-1
1004444261
BUTYL4((3(213BENZOTHIADIAZOL4YLSULFONYLAMINO)QUINOXALIN2YL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54
CCCCOC(=O)c1ccc(cc1)Nc1nc2ccccc2(nH)c1=NS(=O)(=O)c1cccc2c1nsn2
InChI=1SC25H22N6O4S2c123153525(32)16111317(141216)262324(2819854718(19)2723)3137(3334)2110692022(21)30362920h414H2315H21H3(H2627)(H2831)
MFCD05729645
ZINC000002416356
ZINC02416356
ZINC2416356

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Available files

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