Vitas-M small molecule compound

pentyl 5-{[(2-chloro-5-nitrophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate

Catalog ID
STK238296
SMILES CCCCCOC(=O)c1c(C)oc2c1cc(cc2)NS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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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 C21H21ClN2O7S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O7S/c1-3-4-5-10-30-21(25)20-13(2)31-18-9-6-14(11-16(18)20)23-32(28,29)19-12-15(24(26)27)7-8-17(19)22/h6-9,11-12,23H,3-5,10H2,1-2H3
InChIKey
FGRPPTNBCDHZSA-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C
CCCCCOC(=O)c1c(C)oc2c1cc(cc2)NS(=O)(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC21H21ClN2O7Sc1345103021(25)2013(2)31189614(1116(18)20)2332(2829)191215(24(26)27)7817(19)22h69111223H3510H212H3
MFCD03470681
pentyl5(((2chloro5nitrophenyl)sulfonyl)amino)2methyl1benzofuran3carboxylate
pentyl5((2chloro5nitrophenyl)sulfonylamino)2methyl1benzofuran3carboxylate
ZINC000004013076
ZINC04013076
ZINC4013076

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Available files

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