Vitas-M small molecule compound

3-[bis(methylsulfonyl)amino]-N-cyclopropyl-4-methyl-5-nitrobenzenesulfonamide

Catalog ID
STK736062
SMILES [O-][N+](=O)c1cc(cc(c1C)N(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)NC1CC1

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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 C12H17N3O8S3 MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N3O8S3/c1-8-11(14(16)17)6-10(26(22,23)13-9-4-5-9)7-12(8)15(24(2,18)19)25(3,20)21/h6-7,9,13H,4-5H2,1-3H3
InChIKey
AFBCJKHNCHHRCU-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(cc(c1C)N(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)NC1CC1
3(bis(methylsulfonyl)amino)Ncyclopropyl4methyl5nitrobenzenesulfonamide
CC1=C(C=C(C=C1N(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)NC2CC2)(N+)(=O)(O)
InChI=1SC12H17N3O8S3c1811(14(16)17)610(26(2223)139459)712(8)15(24(218)19)25(320)21h67913H45H213H3
MFCD05860612
ZINC000012372381
ZINC12372381

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Available files

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