Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK049130
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1cccc(c1)Oc1ccccc1

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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 C33H31N5O2S MW 561.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O2S/c1-33(2,3)26-19-17-25(18-20-26)31-36-37-32(38(31)27-12-6-4-7-13-27)41-23-30(39)35-34-22-24-11-10-16-29(21-24)40-28-14-8-5-9-15-28/h4-22H,23H2,1-3H3,(H,35,39)/b34-22+
InChIKey
GWDJLYWCJAEMKB-PPOKSSTKSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(3phenoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(3PHENOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(3PHENOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=CC=C4)OC5=CC=CC=C5
InChI=1SC33H31N5O2Sc133(23)26191725(182026)31363732(38(31)27126471327)412330(39)3534222411101629(2124)4028148591528h422H23H213H3(H3539)b3422+
MFCD02641893
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1cccc(c1)Oc1ccccc1
STK049130
ZINC000001886201
ZINC101439702

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Available files

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