Vitas-M small molecule compound

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

Catalog ID
STL261152
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)S(=O)(=O)N(CC)CC

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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 C19H21N3O7S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O7S/c1-4-21(5-2)30(27,28)17-8-6-15(7-9-17)20-18(23)13-10-14(19(24)29-3)12-16(11-13)22(25)26/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKey
BMTQAANEPWJYGW-UHFFFAOYSA-N
Synonyms
600146-65-4
3((4(DIETHYLSULFAMOYL)ANILINO)OXOMETHYL)5NITROBENZOICACIDMETHYLESTER
3((4(DIETHYLSULFAMOYL)PHENYL)CARBAMOYL)5NITROBENZOICACIDMETHYLESTER
600146654
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)S(=O)(=O)N(CC)CC
InChI=1SC19H21N3O7Sc1421(52)30(2728)178615(7917)2018(23)131014(19(24)293)1216(1113)22(25)26h612H45H213H3(H2023)
METHYL3(((4((DIETHYLAMINO)SULFONYL)PHENYL)AMINO)CARBONYL)5NITROBENZOATE
methyl3((4(diethylsulfamoyl)phenyl)carbamoyl)5nitrobenzoate
METHYL5(N(4((DIETHYLAMINO)SULFONYL)PHENYL)CARBAMOYL)3NITROBENZOATE
MFCD03929993
ZINC000001128885
ZINC01128885
ZINC1128885

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Available files

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