Vitas-M small molecule compound

N-(4-{[(2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinyl]carbonyl}benzyl)-N-phenylmethanesulfonamide

Catalog ID
STK885378
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=O)c1ccc(cc1)CN(S(=O)(=O)C)c1ccccc1

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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 C28H27FN4O3S MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN4O3S/c1-20-17-24(21(2)33(20)27-15-13-25(29)14-16-27)18-30-31-28(34)23-11-9-22(10-12-23)19-32(37(3,35)36)26-7-5-4-6-8-26/h4-18H,19H2,1-3H3,(H,31,34)/b30-18+
InChIKey
QUOOHIAWJIPFEX-UXHLAJHPSA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC(=O)C3=CC=C(C=C3)CN(C4=CC=CC=C4)S(=O)(=O)C
Fc1ccc(cc1)n1c(C)cc(c1C)C=NNC(=O)c1ccc(cc1)CN(S(=O)(=O)C)c1ccccc1
InChI=1SC28H27FN4O3Sc1201724(21(2)33(20)27151325(29)141627)18303128(34)2311922(101223)1932(37(335)36)267546826h418H19H213H3(H3134)b3018+
MFCD01968011
N((1E)2(1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)1AZAVINYL)(4(((METHYLSULFONYL)PHENYLAMINO)METHYL)PHENYL)CARBOXAMIDE
N((E)(1(4fluorophenyl)25dimethylpyrrol3yl)methylideneamino)4((Nmethylsulfonylanilino)methyl)benzamide
N(4(((2E)2((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)hydrazinyl)carbonyl)benzyl)Nphenylmethanesulfonamide
ZINC000001083058
ZINC33301346

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Available files

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