Vitas-M small molecule compound

ethyl 5-ethyl-2-({[2-(morpholin-4-yl)-5-nitrophenyl]carbonyl}amino)thiophene-3-carboxylate

Catalog ID
STK761366
SMILES CCOC(=O)c1cc(sc1NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-])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 C20H23N3O6S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O6S/c1-3-14-12-16(20(25)29-4-2)19(30-14)21-18(24)15-11-13(23(26)27)5-6-17(15)22-7-9-28-10-8-22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,21,24)
InChIKey
GXXUMRMWBPHXIX-UHFFFAOYSA-N
Synonyms
309278-12-4
309278124
5ETHYL2(2MORPHOLIN4YL5NITROBENZOYLAMINO)THIOPHENE3CARBOXYLICACIDETHYLESTER
CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))N3CCOCC3)C(=O)OCC
CCOC(=O)c1cc(sc1NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O))CC
ethyl5ethyl2(((2(morpholin4yl)5nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5ETHYL2((2MORPHOLIN4YL5NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ethyl5ethyl2(2morpholino5nitrobenzamido)thiophene3carboxylate
InChI=1SC20H23N3O6Sc13141216(20(25)2942)19(3014)2118(24)151113(23(26)27)5617(15)22792810822h561112H34710H212H3(H2124)
MFCD01829814
ZINC000008441293
ZINC08441293
ZINC8441293

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Available files

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