Vitas-M small molecule compound

methyl 3-({4-[(3-ethoxypropyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate

Catalog ID
STK204321
SMILES CCOCCCNS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)OC)[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 C20H23N3O8S MW 465.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O8S/c1-3-31-10-4-9-21-32(28,29)18-7-5-16(6-8-18)22-19(24)14-11-15(20(25)30-2)13-17(12-14)23(26)27/h5-8,11-13,21H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKey
FJNWWMXSMMKCDY-UHFFFAOYSA-N
Synonyms
827617-52-7
827617527
CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
CCOCCCNS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC20H23N3O8Sc133110492132(2829)187516(6818)2219(24)141115(20(25)302)1317(1214)23(26)27h58111321H34910H212H3(H2224)
METHYL3((4((3ETHOXYPROPYL)SULFAMOYL)PHENYL)CARBAMOYL)5NITROBENZOATE
METHYL3((4(3ETHOXYPROPYLSULFAMOYL)PHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4(((3ETHOXYPROPYL)AMINO)SULFONYL)PHENYL)CARBAMOYL)3NITROBENZOATE
MFCD06153161
ZINC000009971425
ZINC09971425
ZINC9971425

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Available files

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