Vitas-M small molecule compound

2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]acetohydrazide

Catalog ID
STK102773
SMILES CCn1c(SCC(=O)N/N=C(\c2cccc(c2)[N+](=O)[O-])/C)nnc1c1ccc(cc1)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 C21H22N6O3S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S/c1-4-26-20(16-10-8-14(2)9-11-16)24-25-21(26)31-13-19(28)23-22-15(3)17-6-5-7-18(12-17)27(29)30/h5-12H,4,13H2,1-3H3,(H,23,28)/b22-15-
InChIKey
PZPBOPBANIQTSD-JCMHNJIXSA-N
Synonyms

(E)2((4ethyl5(ptolyl)4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1(3NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)C
CCn1c(SCC(=O)NN=C(c2cccc(c2)(N+)(=O)(O))C)nnc1c1ccc(cc1)C
InChI=1SC21H22N6O3Sc142620(1610814(2)91116)242521(26)311319(28)232215(3)1765718(1217)27(29)30h512H413H213H3(H2328)b2215
MFCD03219543
N((1Z)2(3NITROPHENYL)1AZAPROP1ENYL)2(4ETHYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009762531
ZINC13582104

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Available files

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