Vitas-M small molecule compound

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

Catalog ID
STK104707
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2cccc(c2)[N+](=O)[O-])/C)nnc1c1ccccc1

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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 C26H24N6O4S MW 516.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O4S/c1-3-36-23-14-12-21(13-15-23)31-25(19-8-5-4-6-9-19)29-30-26(31)37-17-24(33)28-27-18(2)20-10-7-11-22(16-20)32(34)35/h4-16H,3,17H2,1-2H3,(H,28,33)/b27-18-
InChIKey
CPKUILDAHFAPKZ-IMRQLAEWSA-N
Synonyms

(E)2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((4(4ETHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((Z)1(3NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((1Z)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=C(C)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)NN=C(c2cccc(c2)(N+)(=O)(O))C)nnc1c1ccccc1
InChI=1SC26H24N6O4Sc133623141221(131523)3125(198546919)293026(31)371724(33)282718(2)201071122(1620)32(34)35h416H317H212H3(H2833)b2718
MFCD03220354
N((1Z)2(3NITROPHENYL)1AZAPROP1ENYL)2(4(4ETHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009763729
ZINC09046341
ZINC9046341

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Available files

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