Vitas-M small molecule compound

N'-[(E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-(9H-fluoren-9-ylsulfanyl)acetohydrazide

Catalog ID
STL113121
SMILES O=C(CSC1c2ccccc2c2c1cccc2)N/N=C/c1cc(n(c1C)c1ccccc1)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 C28H25N3OS MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3OS/c1-19-16-21(20(2)31(19)22-10-4-3-5-11-22)17-29-30-27(32)18-33-28-25-14-8-6-12-23(25)24-13-7-9-15-26(24)28/h3-17,28H,18H2,1-2H3,(H,30,32)/b29-17+
InChIKey
MAJANBCCUWTIHH-STBIYBPSSA-N
Synonyms

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)CSC3C4=CC=CC=C4C5=CC=CC=C35
InChI=1SC28H25N3OSc1191621(20(2)31(19)22104351122)17293027(32)1833282514861223(25)2413791526(24)28h31728H18H212H3(H3032)b2917+
MFCD02133735
N((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLENE)2(9HFLUOREN9YLSULFANYL)ACETOHYDRAZIDE
N((E)(25dimethyl1phenyl1Hpyrrol3yl)methylidene)2(9Hfluoren9ylsulfanyl)acetohydrazide
N((E)(25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENEAMINO)2(9HFLUOREN9YLSULFANYL)ACETAMIDE
O=C(CSC1c2ccccc2c2c1cccc2)NN=Cc1cc(n(c1C)c1ccccc1)C
ZINC000002162773
ZINC33349323

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Available files

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