Vitas-M small molecule compound

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

Catalog ID
STK100913
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2)[N+](=O)[O-])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 C25H22N6O4S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O4S/c1-2-35-22-13-11-20(12-14-22)30-24(19-8-4-3-5-9-19)28-29-25(30)36-17-23(32)27-26-16-18-7-6-10-21(15-18)31(33)34/h3-16H,2,17H2,1H3,(H,27,32)/b26-16+
InChIKey
VSRUITHFOASJSR-WGOQTCKBSA-N
Synonyms
351515-17-8
(E)2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)thio)N(3nitrobenzylidene)acetohydrazide
2((4(4ETHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((E)(3NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(3NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
351515178
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2cccc(c2)(N+)(=O)(O))nnc1c1ccccc1
InChI=1SC25H22N6O4Sc123522131120(121422)3024(198435919)282925(30)361723(32)27261618761021(1518)31(33)34h316H217H21H3(H2732)b2616+
MFCD01586197
N((1E)2(3NITROPHENYL)1AZAVINYL)2(4(4ETHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001762822
ZINC33343035

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Available files

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