Vitas-M small molecule compound

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

Catalog ID
STK014819
SMILES COc1cccc(c1)/C(=N/NC(=O)CSc1nnc(n1CC)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 C21H23N5O2S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S/c1-4-26-20(16-9-6-5-7-10-16)24-25-21(26)29-14-19(27)23-22-15(2)17-11-8-12-18(13-17)28-3/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-15+
InChIKey
DVKOZHVWWRTMGG-PXLXIMEGSA-N
Synonyms

(Z)2((4ethyl5phenyl4H124triazol3yl)thio)N(1(3methoxyphenyl)ethylidene)acetohydrazide
2((4ETHYL5PHENYL124TRIAZOL3YL)SULFANYL)N((E)1(3METHOXYPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((4ETHYL5PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(3METHOXYPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
2((4ETHYL5PHENYL4H124TRIAZOL3YL)THIO)N(1(3METHOXYPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC(=CC=C2)OC)C3=CC=CC=C3
COc1cccc(c1)C(=NNC(=O)CSc1nnc(n1CC)c1ccccc1)C
InChI=1SC21H23N5O2Sc142620(1696571016)242521(26)291419(27)232215(2)171181218(1317)283h513H414H213H3(H2327)b2215+
MFCD02642012
N((1E)2(3METHOXYPHENYL)1AZAPROP1ENYL)2(4ETHYL5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK014819
ZINC000004575322
ZINC04898029
ZINC4898029

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Available files

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