Vitas-M small molecule compound

N-(3,4-dimethoxyphenyl)-N-{2-[(2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinyl]-2-oxoethyl}methanesulfonamide (non-preferred name)

Catalog ID
STL283068
SMILES COc1cc(ccc1OC)N(S(=O)(=O)C)CC(=O)N/N=C/c1cc(n(c1C)c1ccc(cc1)F)C

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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 C24H27FN4O5S MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN4O5S/c1-16-12-18(17(2)29(16)20-8-6-19(25)7-9-20)14-26-27-24(30)15-28(35(5,31)32)21-10-11-22(33-3)23(13-21)34-4/h6-14H,15H2,1-5H3,(H,27,30)/b26-14+
InChIKey
FACFRQFMCMXYPA-VULFUBBASA-N
Synonyms

2(34dimethoxyNmethylsulfonylanilino)N((E)(1(4fluorophenyl)25dimethylpyrrol3yl)methylideneamino)acetamide
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC(=O)CN(C3=CC(=C(C=C3)OC)OC)S(=O)(=O)C
COc1cc(ccc1OC)N(S(=O)(=O)C)CC(=O)NN=Cc1cc(n(c1C)c1ccc(cc1)F)C
InChI=1SC24H27FN4O5Sc1161218(17(2)29(16)208619(25)7920)14262724(30)1528(35(531)32)21101122(333)23(1321)344h614H15H215H3(H2730)b2614+
MFCD02806999
N((1E)2(1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)1AZAVINYL)2((34DIMETHOXYPHENYL)(METHYLSULFONYL)AMINO)ACETAMIDE
N(34dimethoxyphenyl)N(2((2E)2((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)hydrazinyl)2oxoethyl)methanesulfonamide(nonpreferredname)
ZINC000014186040
ZINC101346859

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Available files

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