Vitas-M small molecule compound

N'-[(E)-anthracen-9-ylmethylidene]-2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK085220
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)N/N=C/c1c2ccccc2cc2c1cccc2

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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 C31H22ClN5OS MW 548.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClN5OS/c32-24-14-16-25(17-15-24)37-30(21-8-2-1-3-9-21)35-36-31(37)39-20-29(38)34-33-19-28-26-12-6-4-10-22(26)18-23-11-5-7-13-27(23)28/h1-19H,20H2,(H,34,38)/b33-19+
InChIKey
BQJKOEUUDGMVAN-HNSNBQBZSA-N
Synonyms
315199-54-3
(E)N(anthracen9ylmethylene)2((4(4chlorophenyl)5phenyl4H124triazol3yl)thio)acetohydrazide
315199543
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=C5C=CC=CC5=CC6=CC=CC=C64
InChI=1SC31H22ClN5OSc3224141625(171524)3730(218213921)353631(37)392029(38)343319282612641022(26)182311571327(23)28h119H20H2(H3438)b3319+
MFCD02075494
N((E)ANTHRACEN9YLMETHYLIDENE)2((4(4CHLOROPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((E)ANTHRACEN9YLMETHYLIDENEAMINO)2((4(4CHLOROPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)NN=Cc1c2ccccc2cc2c1cccc2
STK085220
ZINC000002343036
ZINC100397324

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Available files

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