Vitas-M small molecule compound

ethyl 4-phenyl-2-[(2,2,2-trichloro-1-{[(2-nitrophenyl)carbonyl]amino}ethyl)amino]thiophene-3-carboxylate

Catalog ID
STK809576
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[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 C22H18Cl3N3O5S MW 542.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl3N3O5S/c1-2-33-20(30)17-15(13-8-4-3-5-9-13)12-34-19(17)27-21(22(23,24)25)26-18(29)14-10-6-7-11-16(14)28(31)32/h3-12,21,27H,2H2,1H3,(H,26,29)
InChIKey
SLSMSXMOFWDJGQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
CCOC(=O)c1c(scc1c1ccccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1(N+)(=O)(O)
ethyl4phenyl2((222trichloro1(((2nitrophenyl)carbonyl)amino)ethyl)amino)thiophene3carboxylate
ETHYL4PHENYL2((222TRICHLORO1((2NITROBENZOYL)AMINO)ETHYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H18Cl3N3O5Sc123320(30)1715(138435913)123419(17)2721(22(2324)25)2618(29)1410671116(14)28(31)32h3122127H2H21H3(H2629)
MFCD00696383
ZINC000002682646
ZINC000002682647

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Available files

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