Vitas-M small molecule compound

1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate

Catalog ID
STK585522
SMILES O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)OCc1nc2c([nH]1)cccc2

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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c25-21(28-15-20-22-18-7-3-4-8-19(18)23-20)16-9-11-17(12-10-16)29(26,27)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,23)
InChIKey
KXXYQNKEHKDRIX-UHFFFAOYSA-N
Synonyms
743473-74-7
(1Hbenzo(d)imidazol2yl)methyl4(azepan1ylsulfonyl)benzoate
1Hbenzimidazol2ylmethyl4(azepan1ylsulfonyl)benzoate
743473747
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3
InChI=1SC21H23N3O4Sc2521(2815202218734819(18)2320)1691117(121016)29(2627)241351261424h34712H12561315H2(H2223)
MFCD05264907
O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)OCc1nc2c((nH)1)cccc2
ZINC000002343179
ZINC02343179
ZINC2343179

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Available files

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