Vitas-M small molecule compound

4,5-dimethyl-2-{[(4-nitrophenyl)sulfonyl]amino}thiophene-3-carboxamide

Catalog ID
STK443865
SMILES NC(=O)c1c(sc(c1C)C)NS(=O)(=O)c1ccc(cc1)[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 C13H13N3O5S2 MW 355.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5S2/c1-7-8(2)22-13(11(7)12(14)17)15-23(20,21)10-5-3-9(4-6-10)16(18)19/h3-6,15H,1-2H3,(H2,14,17)
InChIKey
XVBOJXPHPNAYAJ-UHFFFAOYSA-N
Synonyms

45dimethyl2(((4nitrophenyl)sulfonyl)amino)thiophene3carboxamide
45dimethyl2((4nitrophenyl)sulfonylamino)thiophene3carboxamide
CC1=C(SC(=C1C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)(N+)(=O)(O))C
InChI=1SC13H13N3O5S2c178(2)2213(11(7)12(14)17)1523(2021)10539(4610)16(18)19h3615H12H3(H21417)
MFCD01920626
NC(=O)c1c(sc(c1C)C)NS(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000005681261
ZINC05681261
ZINC5681261

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Available files

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