Vitas-M small molecule compound

ethyl (5Z)-5-{[(4-chlorobenzyl)amino]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK089604
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\NCc2ccc(cc2)Cl)/C1=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 C21H19ClN2O3S MW 414.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O3S/c1-2-27-21(26)18-19(25)17(13-23-12-14-8-10-15(22)11-9-14)28-20(18)24-16-6-4-3-5-7-16/h3-11,13,23-24H,2,12H2,1H3/b17-13-
InChIKey
SSWMJNANLIGKGH-LGMDPLHJSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=CNCc2ccc(cc2)Cl)C1=O
CCOC(=O)C1=C(SC(=CNCC2=CC=C(C=C2)Cl)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5(((4CHLOROPHENYL)METHYLAMINO)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(((4CHLOROBENZYL)AMINO)METHYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL5((((4CHLOROPHENYL)METHYL)AMINO)METHYLENE)4OXO2(PHENYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H19ClN2O3Sc122721(26)1819(25)17(1323121481015(22)11914)2820(18)24166435716h311132324H212H21H3b1713
MFCD01825355
STK089604
ZINC000100566603
ZINC100566603

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Available files

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