Vitas-M small molecule compound

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(naphthalen-1-yl)ethylidene]acetohydrazide

Catalog ID
STK038011
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1cccc2c1cccc2)\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 C29H25N5O2S MW 507.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O2S/c1-20(25-14-8-10-21-9-6-7-13-26(21)25)30-31-27(35)19-37-29-33-32-28(22-15-17-24(36-2)18-16-22)34(29)23-11-4-3-5-12-23/h3-18H,19H2,1-2H3,(H,31,35)/b30-20+
InChIKey
BDTULEQCBYKJEI-TWKHWXDSSA-N
Synonyms
315229-91-5
(E)2((5(4methoxyphenyl)4phenyl4H124triazol3yl)thio)N(1(naphthalen1yl)ethylidene)acetohydrazide
2((5(4methoxyphenyl)4phenyl124triazol3yl)sulfanyl)N((E)1naphthalen1ylethylideneamino)acetamide
2((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(NAPHTHALEN1YL)ETHYLIDENE)ACETOHYDRAZIDE
315229915
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC)C4=CC=CC5=CC=CC=C54
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1cccc2c1cccc2)C
InChI=1SC29H25N5O2Sc120(2514810219671326(21)25)303127(35)193729333228(22151724(362)181622)34(29)23114351223h318H19H212H3(H3135)b3020+
MFCD02077312
N((1E)2NAPHTHYL1AZAPROP1ENYL)2(5(4METHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK038011
ZINC000009019257
ZINC33727799

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Available files

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