Vitas-M small molecule compound

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

Catalog ID
STK026573
SMILES COc1cccc(c1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(c(c1)OC)OC

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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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-33-21-11-7-8-18(14-21)16-27-28-24(32)17-36-26-30-29-25(31(26)20-9-5-4-6-10-20)19-12-13-22(34-2)23(15-19)35-3/h4-16H,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey
GKTSZNWDHJRQRI-JVWAILMASA-N
Synonyms

(Z)2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)N(3methoxybenzylidene)acetohydrazide
2((5(34DIMETHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(3METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(3METHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=CC=C4)OC)OC
COc1cccc(c1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(c(c1)OC)OC
InChI=1SC26H25N5O4Sc13321117818(1421)16272824(32)173626302925(31(26)2095461020)19121322(342)23(1519)353h416H17H213H3(H2832)b2716+
MFCD02076794
STK026573
ZINC000001475053
ZINC31885743

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Available files

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