Vitas-M small molecule compound

N-[4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]thiophene-2-carboxamide

Catalog ID
STK088644
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1)NC(=O)c1cccs1

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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 C20H16N4O4S2 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S2/c1-12-15(4-2-5-16(12)24(27)28)18(25)23-20(29)22-14-9-7-13(8-10-14)21-19(26)17-6-3-11-30-17/h2-11H,1H3,(H,21,26)(H2,22,23,25,29)
InChIKey
BBDXZZCQFHWTOZ-UHFFFAOYSA-N
Synonyms

(2METHYL3NITROPHENYL)N(((4(2THIENYLCARBONYLAMINO)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3
InChI=1SC20H16N4O4S2c11215(42516(12)24(27)28)18(25)2320(29)22149713(81014)2119(26)1763113017h211H1H3(H2126)(H222232529)
MFCD02914937
N(4((((2METHYL3NITROBENZOYL)AMINO)CARBONOTHIOYL)AMINO)PHENYL)2THIOPHENECARBOXAMIDE
N(4((((2METHYL3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)PHENYL)THIOPHENE2CARBOXAMIDE
N(4((2METHYL3NITROBENZOYL)CARBAMOTHIOYLAMINO)PHENYL)THIOPHENE2CARBOXAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(cc1)NC(=O)c1cccs1
STK088644
ZINC000002848025
ZINC02848025
ZINC2848025

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Available files

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